methyl N-thiophen-3-ylsulfonylcarbamate

C6H7NO4S2 — CID 23445473

IUPACmethyl N-thiophen-3-ylsulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccsc1
InChIInChI=1S/C6H7NO4S2/c1-11-6(8)7-13(9,10)5-2-3-12-4-5/h2-4H,1H3,(H,7,8)
InChIKeyKITRWMLMHWWQHR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.79
Rot. Bonds2

About methyl N-thiophen-3-ylsulfonylcarbamate

methyl N-thiophen-3-ylsulfonylcarbamate (PubChem CID 23445473) has the molecular formula C6H7NO4S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl N-thiophen-3-ylsulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-thiophen-3-ylsulfonylcarbamate
PubChem CID23445473
Molecular FormulaC6H7NO4S2
Molecular Weight221.26 g/mol
Exact Mass220.98
IUPAC Namemethyl N-thiophen-3-ylsulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccsc1
InChIInChI=1S/C6H7NO4S2/c1-11-6(8)7-13(9,10)5-2-3-12-4-5/h2-4H,1H3,(H,7,8)
InChIKeyKITRWMLMHWWQHR-UHFFFAOYSA-N
XLogP0.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(benzenesulfonyl)carbamate
CID 676519
potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
methyl 5-(thiophen-3-ylsulfonylamino)pyridine-2-carboxylate
CID 122157867
4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide
CID 90759946
3,4-dimethoxy-5-(thiophen-3-ylsulfonylamino)benzoic acid
CID 167759672
2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide
CID 67603969
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-thiophen-3-ylsulfonylacetamide
CID 97347002
3-thiophen-3-ylsulfonylsulfonylthiophene
CID 101047717
N-(methanesulfonamidomethyl)thiophene-3-sulfonamide
CID 90789852
4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide
CID 51709019
N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
CID 101377782
pentyl 2-amino-3-(thiophen-3-ylsulfonylamino)propanoate
CID 155389340

Frequently Asked Questions

What is the IUPAC name of methyl N-thiophen-3-ylsulfonylcarbamate?
The IUPAC name of methyl N-thiophen-3-ylsulfonylcarbamate (CID 23445473) is methyl N-thiophen-3-ylsulfonylcarbamate.
What is the SMILES notation for methyl N-thiophen-3-ylsulfonylcarbamate?
The canonical SMILES for methyl N-thiophen-3-ylsulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccsc1.
What is the InChIKey of methyl N-thiophen-3-ylsulfonylcarbamate?
The InChIKey is KITRWMLMHWWQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S2/c1-11-6(8)7-13(9,10)5-2-3-12-4-5/h2-4H,1H3,(H,7,8).
What are the key properties of methyl N-thiophen-3-ylsulfonylcarbamate?
methyl N-thiophen-3-ylsulfonylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-thiophen-3-ylsulfonylcarbamate is sourced from PubChem (CID 23445473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).