2-amino-4-hydroxybutane-1-sulfonamide

C4H12N2O3S — CID 174527655

IUPAC2-amino-4-hydroxybutane-1-sulfonamide
SMILESNC(CCO)CS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c5-4(1-2-7)3-10(6,8)9/h4,7H,1-3,5H2,(H2,6,8,9)
InChIKeyGBUMIWQYXXNRQH-UHFFFAOYSA-N
MW168.22 g/mol
LogP-2.02
Rot. Bonds4

About 2-amino-4-hydroxybutane-1-sulfonamide

2-amino-4-hydroxybutane-1-sulfonamide (PubChem CID 174527655) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-amino-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-4-hydroxybutane-1-sulfonamide
PubChem CID174527655
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name2-amino-4-hydroxybutane-1-sulfonamide
SMILESNC(CCO)CS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c5-4(1-2-7)3-10(6,8)9/h4,7H,1-3,5H2,(H2,6,8,9)
InChIKeyGBUMIWQYXXNRQH-UHFFFAOYSA-N
XLogP-2.02
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
3-amino-4-(oxan-4-ylsulfonyl)butan-1-ol
CID 64899314
2-amino-6-hydroxyhexane-1-sulfonic acid
CID 175063690
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
CID 64899074
3-amino-5-hydroxypentanamide
CID 154064496
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
ethane-1,2-diol;ethane-1,2-disulfonamide
CID 23286412
3-aminohexane-1,6-diol;azane
CID 173455648
3-amino-4-(2-nitrophenyl)sulfonylbutan-1-ol
CID 64898211
3-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)butan-1-ol
CID 64899275

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxybutane-1-sulfonamide?
The IUPAC name of 2-amino-4-hydroxybutane-1-sulfonamide (CID 174527655) is 2-amino-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for 2-amino-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for 2-amino-4-hydroxybutane-1-sulfonamide is NC(CCO)CS(N)(=O)=O.
What is the InChIKey of 2-amino-4-hydroxybutane-1-sulfonamide?
The InChIKey is GBUMIWQYXXNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c5-4(1-2-7)3-10(6,8)9/h4,7H,1-3,5H2,(H2,6,8,9).
What are the key properties of 2-amino-4-hydroxybutane-1-sulfonamide?
2-amino-4-hydroxybutane-1-sulfonamide has a molecular weight of 168.22 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 174527655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).