1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide

C14H22N2OS — CID 107299347

IUPAC1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESCSC1(CNC(=O)C2(C#N)CCCCC2)CCC1
InChIInChI=1S/C14H22N2OS/c1-18-14(8-5-9-14)11-16-12(17)13(10-15)6-3-2-4-7-13/h2-9,11H2,1H3,(H,16,17)
InChIKeyODHWDDVRVPVYSX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.86
Rot. Bonds4

About 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide

1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide (PubChem CID 107299347) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
PubChem CID107299347
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESCSC1(CNC(=O)C2(C#N)CCCCC2)CCC1
InChIInChI=1S/C14H22N2OS/c1-18-14(8-5-9-14)11-16-12(17)13(10-15)6-3-2-4-7-13/h2-9,11H2,1H3,(H,16,17)
InChIKeyODHWDDVRVPVYSX-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
1-[(1-methylsulfanylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 114117430
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650
1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 103839419
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide
CID 114116225
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide (CID 107299347) is 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide is CSC1(CNC(=O)C2(C#N)CCCCC2)CCC1.
What is the InChIKey of 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ODHWDDVRVPVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-14(8-5-9-14)11-16-12(17)13(10-15)6-3-2-4-7-13/h2-9,11H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide?
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.86, 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-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107299347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).