2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate

C8H9N3O4S2 — CID 114166352

IUPAC2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
SMILESN#Cc1ccc(S(=O)(=O)NCCOC(N)=O)s1
InChIInChI=1S/C8H9N3O4S2/c9-5-6-1-2-7(16-6)17(13,14)11-3-4-15-8(10)12/h1-2,11H,3-4H2,(H2,10,12)
InChIKeyXOOOURXJRFJSES-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.01
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate

2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate (PubChem CID 114166352) has the molecular formula C8H9N3O4S2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
PubChem CID114166352
Molecular FormulaC8H9N3O4S2
Molecular Weight275.31 g/mol
Exact Mass275.00
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
SMILESN#Cc1ccc(S(=O)(=O)NCCOC(N)=O)s1
InChIInChI=1S/C8H9N3O4S2/c9-5-6-1-2-7(16-6)17(13,14)11-3-4-15-8(10)12/h1-2,11H,3-4H2,(H2,10,12)
InChIKeyXOOOURXJRFJSES-UHFFFAOYSA-N
XLogP-0.01
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
CID 106266016
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate (CID 114166352) is 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate is N#Cc1ccc(S(=O)(=O)NCCOC(N)=O)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate?
The InChIKey is XOOOURXJRFJSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S2/c9-5-6-1-2-7(16-6)17(13,14)11-3-4-15-8(10)12/h1-2,11H,3-4H2,(H2,10,12).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate?
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate has a molecular weight of 275.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 114166352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).