2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide

C19H43N3O6S3 — CID 167548657

IUPAC2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide
SMILESCC#CCS(=O)(=O)NC(C)C.CC(C)NS(=O)(=O)CC(C)(C)C.CC(C)NS(C)(=O)=O
InChIInChI=1S/C8H19NO2S.C7H13NO2S.C4H11NO2S/c1-7(2)9-12(10,11)6-8(3,4)5;1-4-5-6-11(9,10)8-7(2)3;1-4(2)5-8(3,6)7/h7,9H,6H2,1-5H3;7-8H,6H2,1-3H3;4-5H,1-3H3
InChIKeyCCWKEVSYBCVEKC-UHFFFAOYSA-N
MW505.77 g/mol
LogP1.64
Rot. Bonds8

About 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide

2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide (PubChem CID 167548657) has the molecular formula C19H43N3O6S3 and a molecular weight of 505.77 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide
PubChem CID167548657
Molecular FormulaC19H43N3O6S3
Molecular Weight505.77 g/mol
Exact Mass505.23
IUPAC Name2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide
SMILESCC#CCS(=O)(=O)NC(C)C.CC(C)NS(=O)(=O)CC(C)(C)C.CC(C)NS(C)(=O)=O
InChIInChI=1S/C8H19NO2S.C7H13NO2S.C4H11NO2S/c1-7(2)9-12(10,11)6-8(3,4)5;1-4-5-6-11(9,10)8-7(2)3;1-4(2)5-8(3,6)7/h7,9H,6H2,1-5H3;7-8H,6H2,1-3H3;4-5H,1-3H3
InChIKeyCCWKEVSYBCVEKC-UHFFFAOYSA-N
XLogP1.64
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.77
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 79267130
2,2-dimethyl-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 57355566
N-propan-2-ylprop-1-yne-1-sulfonamide
CID 162494750
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
N-(1-methylsulfonylpropan-2-yl)but-2-yn-1-amine
CID 64629603
N-methoxy-2,2-dimethylpropane-1-sulfonamide
CID 64973863
1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide
CID 159156938
N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
CID 115819643
N-but-2-ynyl-N-propan-2-ylbut-2-yne-1-sulfonamide
CID 59140101
2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide
CID 165469661
2,2-difluoro-N-methylsulfonylpropane-1-sulfonamide
CID 89220075

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide?
The IUPAC name of 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide (CID 167548657) is 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide is CC#CCS(=O)(=O)NC(C)C.CC(C)NS(=O)(=O)CC(C)(C)C.CC(C)NS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide?
The InChIKey is CCWKEVSYBCVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S.C7H13NO2S.C4H11NO2S/c1-7(2)9-12(10,11)6-8(3,4)5;1-4-5-6-11(9,10)8-7(2)3;1-4(2)5-8(3,6)7/h7,9H,6H2,1-5H3;7-8H,6H2,1-3H3;4-5H,1-3H3.
What are the key properties of 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide?
2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide has a molecular weight of 505.77 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide;N-propan-2-ylbut-2-yne-1-sulfonamide;N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 167548657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).