1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide

C13H16N2OS — CID 78994589

IUPAC1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H16N2OS/c1-10(7-11-3-6-17-8-11)15-12(16)13(9-14)4-2-5-13/h3,6,8,10H,2,4-5,7H2,1H3,(H,15,16)
InChIKeyQMCLSTSLMSTBIW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.49
Rot. Bonds4

About 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide

1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 78994589) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID78994589
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H16N2OS/c1-10(7-11-3-6-17-8-11)15-12(16)13(9-14)4-2-5-13/h3,6,8,10H,2,4-5,7H2,1H3,(H,15,16)
InChIKeyQMCLSTSLMSTBIW-UHFFFAOYSA-N
XLogP2.49
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 55165732
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 61461953
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
CID 115636303

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide (CID 78994589) is 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide is CC(Cc1ccsc1)NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is QMCLSTSLMSTBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(7-11-3-6-17-8-11)15-12(16)13(9-14)4-2-5-13/h3,6,8,10H,2,4-5,7H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).