(2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol

C71H155N3O11S3 — CID 159154539

About (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol

(2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol (PubChem CID 159154539) has the molecular formula C71H155N3O11S3 and a molecular weight of 1323.23 g/mol. Its IUPAC name is (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol.

Molecular Properties

• Compound Name: (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol
• PubChem CID: 159154539
• Molecular Formula: C71H155N3O11S3
• Molecular Weight: 1323.23 g/mol
• Exact Mass: 1322.08
• IUPAC Name: (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol
• SMILES: CC[C@@H](C(C)O)C(C)(C)C.CC[C@@H](CC(C)(C)O)C(C)(C)C.CC[C@@H](CC(C)(O)O)C(C)(C)C.CC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C.CC[C@@H](CN(C)S(C)(=O)=O)C(C)(C)C.CC[C@@H](CN1CCCS1(=O)=O)C(C)(C)C.CC[C@@H](CO)C(C)(C)C
• InChI: InChI=1S/C12H25NO2S.C11H23NO2S.C11H24O.C10H23NO2S.C10H22O2.C9H20O.C8H18O/c1-6-10(12(2,3)4)9-13(5)16(14,15)11-7-8-11;1-5-10(11(2,3)4)9-12-7-6-8-15(12,13)14;1-7-9(10(2,3)4)8-11(5,6)12;1-7-9(10(2,3)4)8-11(5)14(6,12)13;1-6-8(9(2,3)4)7-10(5,11)12;1-6-8(7(2)10)9(3,4)5;1-5-7(6-9)8(2,3)4/h10-11H,6-9H2,1-5H3;10H,5-9H2,1-4H3;9,12H,7-8H2,1-6H3;9H,7-8H2,1-6H3;8,11-12H,6-7H2,1-5H3;7-8,10H,6H2,1-5H3;7,9H,5-6H2,1-4H3/t2*10-;2*9-;8-;7?,8-;7-/m0000000/s1
• InChIKey: KJSKZSLHABLMFX-ZAJLBZSTSA-N
• XLogP: 16.39
• TPSA: 213.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.23
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol?

The IUPAC name of (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol (CID 159154539) is (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol.

What is the SMILES notation for (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol?

The canonical SMILES for (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol is CC[C@@H](C(C)O)C(C)(C)C.CC[C@@H](CC(C)(C)O)C(C)(C)C.CC[C@@H](CC(C)(O)O)C(C)(C)C.CC[C@@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C.CC[C@@H](CN(C)S(C)(=O)=O)C(C)(C)C.CC[C@@H](CN1CCCS1(=O)=O)C(C)(C)C.CC[C@@H](CO)C(C)(C)C.

What is the InChIKey of (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol?

The InChIKey is KJSKZSLHABLMFX-ZAJLBZSTSA-N. The full InChI is InChI=1S/C12H25NO2S.C11H23NO2S.C11H24O.C10H23NO2S.C10H22O2.C9H20O.C8H18O/c1-6-10(12(2,3)4)9-13(5)16(14,15)11-7-8-11;1-5-10(11(2,3)4)9-12-7-6-8-15(12,13)14;1-7-9(10(2,3)4)8-11(5,6)12;1-7-9(10(2,3)4)8-11(5)14(6,12)13;1-6-8(9(2,3)4)7-10(5,11)12;1-6-8(7(2)10)9(3,4)5;1-5-7(6-9)8(2,3)4/h10-11H,6-9H2,1-5H3;10H,5-9H2,1-4H3;9,12H,7-8H2,1-6H3;9H,7-8H2,1-6H3;8,11-12H,6-7H2,1-5H3;7-8,10H,6H2,1-5H3;7,9H,5-6H2,1-4H3/t2*10-;2*9-;8-;7?,8-;7-/m0000000/s1.

What are the key properties of (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol?

(2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol has a molecular weight of 1323.23 g/mol, XLogP of 16.39, 22 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-ethyl-3,3-dimethylbutan-1-ol;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide;N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide;2-[(2R)-2-ethyl-3,3-dimethylbutyl]-1,2-thiazolidine 1,1-dioxide;(4S)-4-ethyl-5,5-dimethylhexane-2,2-diol;(3R)-3-ethyl-4,4-dimethylpentan-2-ol;(4S)-4-ethyl-2,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 159154539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).