N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide

C9H10N2OS — CID 130638279

IUPACN-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cccs1
InChIInChI=1S/C9H10N2OS/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h3-5,7H,2H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyRLGYIBRQUXJPGJ-ZETCQYMHSA-N
MW194.26 g/mol
LogP1.78
Rot. Bonds3

About N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide

N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide (PubChem CID 130638279) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
PubChem CID130638279
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cccs1
InChIInChI=1S/C9H10N2OS/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h3-5,7H,2H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyRLGYIBRQUXJPGJ-ZETCQYMHSA-N
XLogP1.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
CID 103755069
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide (CID 130638279) is N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide is CC[C@@H](C#N)NC(=O)c1cccs1.
What is the InChIKey of N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide?
The InChIKey is RLGYIBRQUXJPGJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h3-5,7H,2H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide?
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide has a molecular weight of 194.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 130638279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).