1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide

C15H22N2OS — CID 119320851

IUPAC1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCSc1ccc(N(C)C(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-17(12-6-8-13(19-2)9-7-12)14(18)15(16)10-4-3-5-11-15/h6-9H,3-5,10-11,16H2,1-2H3
InChIKeyVSLXGCJMHAUVCW-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.03
Rot. Bonds3

About 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide

1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide (PubChem CID 119320851) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
PubChem CID119320851
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCSc1ccc(N(C)C(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-17(12-6-8-13(19-2)9-7-12)14(18)15(16)10-4-3-5-11-15/h6-9H,3-5,10-11,16H2,1-2H3
InChIKeyVSLXGCJMHAUVCW-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
CID 55141779
1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 81171712
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
(1-aminocyclopropyl)-(4-methylsulfanylphenyl)methanone
CID 116924331
1-amino-N-methyl-N-(3-propan-2-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119305766

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide (CID 119320851) is 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide is CSc1ccc(N(C)C(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The InChIKey is VSLXGCJMHAUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17(12-6-8-13(19-2)9-7-12)14(18)15(16)10-4-3-5-11-15/h6-9H,3-5,10-11,16H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119320851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).