1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide

C17H24N2OS — CID 80526850

IUPAC1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C#N)CCCCCC1)c1cccs1
InChIInChI=1S/C17H24N2OS/c1-16(2,14-8-7-11-21-14)13-19-15(20)17(12-18)9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,13H2,1-2H3,(H,19,20)
InChIKeyZHAMHCJNCFVZEF-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.01
Rot. Bonds4

About 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide

1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide (PubChem CID 80526850) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
PubChem CID80526850
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C#N)CCCCCC1)c1cccs1
InChIInChI=1S/C17H24N2OS/c1-16(2,14-8-7-11-21-14)13-19-15(20)17(12-18)9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,13H2,1-2H3,(H,19,20)
InChIKeyZHAMHCJNCFVZEF-UHFFFAOYSA-N
XLogP4.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106975525
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide
CID 75417159
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
N-(2-methyl-2-thiophen-2-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032820
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide (CID 80526850) is 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide is CC(C)(CNC(=O)C1(C#N)CCCCCC1)c1cccs1.
What is the InChIKey of 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide?
The InChIKey is ZHAMHCJNCFVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-16(2,14-8-7-11-21-14)13-19-15(20)17(12-18)9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,13H2,1-2H3,(H,19,20).
What are the key properties of 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide?
1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 80526850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).