N-(3,4-dihydroxybutyl)methanesulfonamide

C5H13NO4S — CID 22956539

IUPACN-(3,4-dihydroxybutyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(O)CO
InChIInChI=1S/C5H13NO4S/c1-11(9,10)6-3-2-5(8)4-7/h5-8H,2-4H2,1H3
InChIKeyHBZAJZIVJNLDGR-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.72
Rot. Bonds5

About N-(3,4-dihydroxybutyl)methanesulfonamide

N-(3,4-dihydroxybutyl)methanesulfonamide (PubChem CID 22956539) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(3,4-dihydroxybutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydroxybutyl)methanesulfonamide
PubChem CID22956539
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC NameN-(3,4-dihydroxybutyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(O)CO
InChIInChI=1S/C5H13NO4S/c1-11(9,10)6-3-2-5(8)4-7/h5-8H,2-4H2,1H3
InChIKeyHBZAJZIVJNLDGR-UHFFFAOYSA-N
XLogP-1.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxybutyl)methanesulfonamide?
The IUPAC name of N-(3,4-dihydroxybutyl)methanesulfonamide (CID 22956539) is N-(3,4-dihydroxybutyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dihydroxybutyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dihydroxybutyl)methanesulfonamide is CS(=O)(=O)NCCC(O)CO.
What is the InChIKey of N-(3,4-dihydroxybutyl)methanesulfonamide?
The InChIKey is HBZAJZIVJNLDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-11(9,10)6-3-2-5(8)4-7/h5-8H,2-4H2,1H3.
What are the key properties of N-(3,4-dihydroxybutyl)methanesulfonamide?
N-(3,4-dihydroxybutyl)methanesulfonamide has a molecular weight of 183.23 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxybutyl)methanesulfonamide is sourced from PubChem (CID 22956539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).