N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide

C12H28N2O2S — CID 58821445

IUPACN-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(C)(=O)=O)CC(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-10(2)13-11(8-12(3,4)5)9-14(6)17(7,15)16/h10-11,13H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyGMUDFKDRWMRDOY-NSHDSACASA-N
MW264.43 g/mol
LogP1.68
Rot. Bonds6

About N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide

N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide (PubChem CID 58821445) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide
PubChem CID58821445
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(C)(=O)=O)CC(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-10(2)13-11(8-12(3,4)5)9-14(6)17(7,15)16/h10-11,13H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyGMUDFKDRWMRDOY-NSHDSACASA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide (CID 58821445) is N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide is CC(C)N[C@H](CN(C)S(C)(=O)=O)CC(C)(C)C.
What is the InChIKey of N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide?
The InChIKey is GMUDFKDRWMRDOY-NSHDSACASA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-10(2)13-11(8-12(3,4)5)9-14(6)17(7,15)16/h10-11,13H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide?
N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-dimethyl-2-(propan-2-ylamino)pentyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58821445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).