2-hydroxybutyl sulfamate

C4H11NO4S — CID 119095429

IUPAC2-hydroxybutyl sulfamate
SMILESCCC(O)COS(N)(=O)=O
InChIInChI=1S/C4H11NO4S/c1-2-4(6)3-9-10(5,7)8/h4,6H,2-3H2,1H3,(H2,5,7,8)
InChIKeyMSUBELDWUMRCFI-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.02
Rot. Bonds4

About 2-hydroxybutyl sulfamate

2-hydroxybutyl sulfamate (PubChem CID 119095429) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-hydroxybutyl sulfamate.

Molecular Properties

Compound Name2-hydroxybutyl sulfamate
PubChem CID119095429
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name2-hydroxybutyl sulfamate
SMILESCCC(O)COS(N)(=O)=O
InChIInChI=1S/C4H11NO4S/c1-2-4(6)3-9-10(5,7)8/h4,6H,2-3H2,1H3,(H2,5,7,8)
InChIKeyMSUBELDWUMRCFI-UHFFFAOYSA-N
XLogP-1.02
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutyl sulfamate?
The IUPAC name of 2-hydroxybutyl sulfamate (CID 119095429) is 2-hydroxybutyl sulfamate.
What is the SMILES notation for 2-hydroxybutyl sulfamate?
The canonical SMILES for 2-hydroxybutyl sulfamate is CCC(O)COS(N)(=O)=O.
What is the InChIKey of 2-hydroxybutyl sulfamate?
The InChIKey is MSUBELDWUMRCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S/c1-2-4(6)3-9-10(5,7)8/h4,6H,2-3H2,1H3,(H2,5,7,8).
What are the key properties of 2-hydroxybutyl sulfamate?
2-hydroxybutyl sulfamate has a molecular weight of 169.20 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutyl sulfamate is sourced from PubChem (CID 119095429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).