N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide

C7H17NO3S — CID 15321978

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide
SMILESCC(C)[C@@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-6(2)7(5-9)8(3)12(4,10)11/h6-7,9H,5H2,1-4H3/t7-/m1/s1
InChIKeySNXJPXBHLFSDAO-SSDOTTSWSA-N
MW195.28 g/mol
LogP-0.11
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide (PubChem CID 15321978) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide
PubChem CID15321978
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide
SMILESCC(C)[C@@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-6(2)7(5-9)8(3)12(4,10)11/h6-7,9H,5H2,1-4H3/t7-/m1/s1
InChIKeySNXJPXBHLFSDAO-SSDOTTSWSA-N
XLogP-0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-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

Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
(2R)-2-(dimethylamino)-3-methylbutan-1-ol
CID 93492101
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-[(S)-hydroxy(naphthalen-1-yl)methyl]-N-methylbenzenesulfonamide
CID 15696132
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzenesulfonamide
CID 15696130
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078
N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide
CID 12952545
3-amino-4,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-1-ol
CID 114356461
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
CID 156566666

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide (CID 15321978) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide is CC(C)[C@@H](CO)N(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is SNXJPXBHLFSDAO-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-6(2)7(5-9)8(3)12(4,10)11/h6-7,9H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 15321978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).