methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate

C8H12N2O4S2 — CID 61132066

IUPACmethyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H12N2O4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13)
InChIKeyZKKDOMMKJIBMEZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.29
Rot. Bonds4

About methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate

methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate (PubChem CID 61132066) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate
PubChem CID61132066
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Namemethyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H12N2O4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13)
InChIKeyZKKDOMMKJIBMEZ-UHFFFAOYSA-N
XLogP0.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate (CID 61132066) is methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate is COC(=O)NCCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate?
The InChIKey is ZKKDOMMKJIBMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13).
What are the key properties of methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate?
methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate has a molecular weight of 264.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 61132066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).