(2R)-2-(hydroxymethyl)butane-1-sulfonamide

C5H13NO3S — CID 139836573

IUPAC(2R)-2-(hydroxymethyl)butane-1-sulfonamide
SMILESCC[C@H](CO)CS(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-2-5(3-7)4-10(6,8)9/h5,7H,2-4H2,1H3,(H2,6,8,9)/t5-/m1/s1
InChIKeyKYHOKOBTBOQONN-RXMQYKEDSA-N
MW167.23 g/mol
LogP-0.71
Rot. Bonds4

About (2R)-2-(hydroxymethyl)butane-1-sulfonamide

(2R)-2-(hydroxymethyl)butane-1-sulfonamide (PubChem CID 139836573) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)butane-1-sulfonamide
PubChem CID139836573
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name(2R)-2-(hydroxymethyl)butane-1-sulfonamide
SMILESCC[C@H](CO)CS(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-2-5(3-7)4-10(6,8)9/h5,7H,2-4H2,1H3,(H2,6,8,9)/t5-/m1/s1
InChIKeyKYHOKOBTBOQONN-RXMQYKEDSA-N
XLogP-0.71
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(hydroxymethyl)butane-1-sulfonamide 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

1-Hydroxy-2-methylpropane-2-sulfonamide
CID 11062586
4-Hydroxybutane-1-sulfonamide
CID 21436386
1-Hydroxypropane-2-sulfonamide
CID 65744038
(2S)-1-hydroxypropane-2-sulfonamide
CID 165980565
3-Hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 10329687
3-Hydroxy-2-methylpropane-1-sulfonamide
CID 10511049
3-Hydroxy-2,2-diethyl-1-propanesulfonamide
CID 10559765
2-(Hydroxymethyl)butane-1-sulfonamide
CID 10702240
[1-(Hydroxymethyl)cyclopropyl]methanesulfonamide
CID 10749560
4-Hydroxy-3,3-dimethyl-1-butanesulfonamide
CID 10749917
3-Hydroxy-2-isopropyl-1-propanesulfonamide
CID 10773751
2-(R)-methyl-3-hydroxy-1-propylsulfonamide
CID 18648152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)butane-1-sulfonamide?
The IUPAC name of (2R)-2-(hydroxymethyl)butane-1-sulfonamide (CID 139836573) is (2R)-2-(hydroxymethyl)butane-1-sulfonamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)butane-1-sulfonamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)butane-1-sulfonamide is CC[C@H](CO)CS(N)(=O)=O.
What is the InChIKey of (2R)-2-(hydroxymethyl)butane-1-sulfonamide?
The InChIKey is KYHOKOBTBOQONN-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-2-5(3-7)4-10(6,8)9/h5,7H,2-4H2,1H3,(H2,6,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)butane-1-sulfonamide?
(2R)-2-(hydroxymethyl)butane-1-sulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 139836573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).