N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide

C11H26N2O2S — CID 58821564

IUPACN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C[C@@H](NC(C)C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-7-16(14,15)13(6)8-11(9(2)3)12-10(4)5/h9-12H,7-8H2,1-6H3/t11-/m1/s1
InChIKeySGJFEQZQDIKHJN-LLVKDONJSA-N
MW250.41 g/mol
LogP1.29
Rot. Bonds7

About N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide

N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide (PubChem CID 58821564) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide
PubChem CID58821564
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C[C@@H](NC(C)C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-7-16(14,15)13(6)8-11(9(2)3)12-10(4)5/h9-12H,7-8H2,1-6H3/t11-/m1/s1
InChIKeySGJFEQZQDIKHJN-LLVKDONJSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
2-[(1-ethylpropyl)amino]-N,N-dimethylethanesulfonamide
CID 50980466
(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine
CID 94989971
3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide
CID 112740825
4,4,4-trifluoro-N-(4-methylpyrrolidin-3-yl)butane-1-sulfonamide
CID 113457497
N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide
CID 120664506
3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide
CID 120722748
1-Propanesulfonic acid, 3-[(1,2-dimethylpropyl)amino]-
CID 11481216
1-(2-aminoethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983828
N,4-dimethyl-1-propylsulfonylpiperidin-3-amine
CID 21983832
1-(Ethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983834
1-butylsulfonyl-N,4-dimethylpiperidin-3-amine
CID 21983835

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide (CID 58821564) is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide is CCS(=O)(=O)N(C)C[C@@H](NC(C)C)C(C)C.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide?
The InChIKey is SGJFEQZQDIKHJN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-7-16(14,15)13(6)8-11(9(2)3)12-10(4)5/h9-12H,7-8H2,1-6H3/t11-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide?
N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]ethanesulfonamide is sourced from PubChem (CID 58821564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).