(2S,3S)-3-hydroxybutane-2-sulfonamide

C4H11NO3S — CID 126553488

IUPAC(2S,3S)-3-hydroxybutane-2-sulfonamide
SMILESC[C@H](O)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-3(6)4(2)9(5,7)8/h3-4,6H,1-2H3,(H2,5,7,8)/t3-,4-/m0/s1
InChIKeyXDDOQEHXGMBCCA-IMJSIDKUSA-N
MW153.20 g/mol
LogP-0.96
Rot. Bonds2

About (2S,3S)-3-hydroxybutane-2-sulfonamide

(2S,3S)-3-hydroxybutane-2-sulfonamide (PubChem CID 126553488) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is (2S,3S)-3-hydroxybutane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxybutane-2-sulfonamide
PubChem CID126553488
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name(2S,3S)-3-hydroxybutane-2-sulfonamide
SMILESC[C@H](O)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-3(6)4(2)9(5,7)8/h3-4,6H,1-2H3,(H2,5,7,8)/t3-,4-/m0/s1
InChIKeyXDDOQEHXGMBCCA-IMJSIDKUSA-N
XLogP-0.96
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxybutane-2-sulfonamide?
The IUPAC name of (2S,3S)-3-hydroxybutane-2-sulfonamide (CID 126553488) is (2S,3S)-3-hydroxybutane-2-sulfonamide.
What is the SMILES notation for (2S,3S)-3-hydroxybutane-2-sulfonamide?
The canonical SMILES for (2S,3S)-3-hydroxybutane-2-sulfonamide is C[C@H](O)[C@H](C)S(N)(=O)=O.
What is the InChIKey of (2S,3S)-3-hydroxybutane-2-sulfonamide?
The InChIKey is XDDOQEHXGMBCCA-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-3(6)4(2)9(5,7)8/h3-4,6H,1-2H3,(H2,5,7,8)/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxybutane-2-sulfonamide?
(2S,3S)-3-hydroxybutane-2-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxybutane-2-sulfonamide is sourced from PubChem (CID 126553488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).