5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide

C8H7ClN2OS — CID 130637570

IUPAC5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide
SMILESC[C@@H](C#N)NC(=O)c1csc(Cl)c1
InChIInChI=1S/C8H7ClN2OS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,1H3,(H,11,12)/t5-/m0/s1
InChIKeyIRCORHJHLHIRFD-YFKPBYRVSA-N
MW214.68 g/mol
LogP2.04
Rot. Bonds2

About 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide

5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide (PubChem CID 130637570) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide
PubChem CID130637570
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide
SMILESC[C@@H](C#N)NC(=O)c1csc(Cl)c1
InChIInChI=1S/C8H7ClN2OS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,1H3,(H,11,12)/t5-/m0/s1
InChIKeyIRCORHJHLHIRFD-YFKPBYRVSA-N
XLogP2.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide (CID 130637570) is 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide is C[C@@H](C#N)NC(=O)c1csc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide?
The InChIKey is IRCORHJHLHIRFD-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide?
5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide has a molecular weight of 214.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-cyanoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 130637570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).