N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide

C8H19NO3S — CID 104981900

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CC(C)C
InChIInChI=1S/C8H19NO3S/c1-4-8(5-10)9-13(11,12)6-7(2)3/h7-10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyOEVIDOYSPBRGKT-QMMMGPOBSA-N
MW209.31 g/mol
LogP0.33
Rot. Bonds6

About N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide

N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide (PubChem CID 104981900) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
PubChem CID104981900
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CC(C)C
InChIInChI=1S/C8H19NO3S/c1-4-8(5-10)9-13(11,12)6-7(2)3/h7-10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyOEVIDOYSPBRGKT-QMMMGPOBSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
CID 79027401
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606
(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
CID 78995773
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide (CID 104981900) is N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide is CC[C@@H](CO)NS(=O)(=O)CC(C)C.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is OEVIDOYSPBRGKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-8(5-10)9-13(11,12)6-7(2)3/h7-10H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 104981900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).