[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate

C5H7NO5S — CID 62705949

IUPAC[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C5H7NO5S/c6-12(8,9)10-3-4-1-2-5(7)11-4/h1-2,4H,3H2,(H2,6,8,9)/t4-/m0/s1
InChIKeyRZRPSCOVYHVYHE-BYPYZUCNSA-N
MW193.18 g/mol
LogP-1.31
Rot. Bonds3

About [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate

[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate (PubChem CID 62705949) has the molecular formula C5H7NO5S and a molecular weight of 193.18 g/mol. Its IUPAC name is [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate.

Molecular Properties

Compound Name[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate
PubChem CID62705949
Molecular FormulaC5H7NO5S
Molecular Weight193.18 g/mol
Exact Mass193.00
IUPAC Name[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C5H7NO5S/c6-12(8,9)10-3-4-1-2-5(7)11-4/h1-2,4H,3H2,(H2,6,8,9)/t4-/m0/s1
InChIKeyRZRPSCOVYHVYHE-BYPYZUCNSA-N
XLogP-1.31
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
2-(2-hydroxyethyl)-2H-furan-5-one
CID 11535562
2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
3-(5-oxo-2H-furan-2-yl)propanal
CID 86229891
2-benzyl-2H-furan-5-one
CID 13297886
2-(3-methyl-2-methylidenebutyl)-2H-furan-5-one
CID 544001
(2S)-5-oxo-2H-furan-2-carbaldehyde
CID 163953741
(2-methyl-6-oxo-2,3-dihydropyran-3-yl) methanesulfonate
CID 134868085
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate?
The IUPAC name of [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate (CID 62705949) is [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate.
What is the SMILES notation for [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate?
The canonical SMILES for [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate is NS(=O)(=O)OC[C@@H]1C=CC(=O)O1.
What is the InChIKey of [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate?
The InChIKey is RZRPSCOVYHVYHE-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO5S/c6-12(8,9)10-3-4-1-2-5(7)11-4/h1-2,4H,3H2,(H2,6,8,9)/t4-/m0/s1.
What are the key properties of [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate?
[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate has a molecular weight of 193.18 g/mol, XLogP of -1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate is sourced from PubChem (CID 62705949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).