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

C14H18N2OS — CID 80502048

IUPAC1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)Cc2cccs2)C1
InChIInChI=1S/C14H18N2OS/c1-10-7-14(8-10,9-15)13(17)16-11(2)6-12-4-3-5-18-12/h3-5,10-11H,6-8H2,1-2H3,(H,16,17)
InChIKeyQDSPUPASDSEALI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.74
Rot. Bonds4

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

1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80502048) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID80502048
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)Cc2cccs2)C1
InChIInChI=1S/C14H18N2OS/c1-10-7-14(8-10,9-15)13(17)16-11(2)6-12-4-3-5-18-12/h3-5,10-11H,6-8H2,1-2H3,(H,16,17)
InChIKeyQDSPUPASDSEALI-UHFFFAOYSA-N
XLogP2.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80599692
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 113311585
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091890
1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 80591845
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
(1S,6R)-6-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962113
1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904212
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide (CID 80502048) is 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC(C)Cc2cccs2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is QDSPUPASDSEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-7-14(8-10,9-15)13(17)16-11(2)6-12-4-3-5-18-12/h3-5,10-11H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80502048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).