3,3-dihydroxypropane-1-sulfonamide

C3H9NO4S — CID 137371619

IUPAC3,3-dihydroxypropane-1-sulfonamide
SMILESNS(=O)(=O)CCC(O)O
InChIInChI=1S/C3H9NO4S/c4-9(7,8)2-1-3(5)6/h3,5-6H,1-2H2,(H2,4,7,8)
InChIKeyJYPHJGYCMAXNAF-UHFFFAOYSA-N
MW155.17 g/mol
LogP-2.02
Rot. Bonds3

About 3,3-dihydroxypropane-1-sulfonamide

3,3-dihydroxypropane-1-sulfonamide (PubChem CID 137371619) has the molecular formula C3H9NO4S and a molecular weight of 155.17 g/mol. Its IUPAC name is 3,3-dihydroxypropane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dihydroxypropane-1-sulfonamide
PubChem CID137371619
Molecular FormulaC3H9NO4S
Molecular Weight155.17 g/mol
Exact Mass155.03
IUPAC Name3,3-dihydroxypropane-1-sulfonamide
SMILESNS(=O)(=O)CCC(O)O
InChIInChI=1S/C3H9NO4S/c4-9(7,8)2-1-3(5)6/h3,5-6H,1-2H2,(H2,4,7,8)
InChIKeyJYPHJGYCMAXNAF-UHFFFAOYSA-N
XLogP-2.02
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxypropane-1-sulfonamide?
The IUPAC name of 3,3-dihydroxypropane-1-sulfonamide (CID 137371619) is 3,3-dihydroxypropane-1-sulfonamide.
What is the SMILES notation for 3,3-dihydroxypropane-1-sulfonamide?
The canonical SMILES for 3,3-dihydroxypropane-1-sulfonamide is NS(=O)(=O)CCC(O)O.
What is the InChIKey of 3,3-dihydroxypropane-1-sulfonamide?
The InChIKey is JYPHJGYCMAXNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO4S/c4-9(7,8)2-1-3(5)6/h3,5-6H,1-2H2,(H2,4,7,8).
What are the key properties of 3,3-dihydroxypropane-1-sulfonamide?
3,3-dihydroxypropane-1-sulfonamide has a molecular weight of 155.17 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroxypropane-1-sulfonamide is sourced from PubChem (CID 137371619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).