N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide

C15H22N2OS — CID 79217136

IUPACN-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
SMILESCNC1CCC(NC(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-16-12-5-7-13(8-6-12)17-15(18)11-3-9-14(19-2)10-4-11/h3-4,9-10,12-13,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyLEKMBLZBIFINRY-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide

N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide (PubChem CID 79217136) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
PubChem CID79217136
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
SMILESCNC1CCC(NC(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-16-12-5-7-13(8-6-12)17-15(18)11-3-9-14(19-2)10-4-11/h3-4,9-10,12-13,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyLEKMBLZBIFINRY-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
CID 116917614
4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 86828685
N-cyclopropyl-4-[(E)-3-(4-methylsulfanylanilino)-3-oxoprop-1-enyl]benzamide
CID 35736991
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide
CID 8590292
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide (CID 79217136) is N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide is CNC1CCC(NC(=O)c2ccc(SC)cc2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide?
The InChIKey is LEKMBLZBIFINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-16-12-5-7-13(8-6-12)17-15(18)11-3-9-14(19-2)10-4-11/h3-4,9-10,12-13,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide?
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide has a molecular weight of 278.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 79217136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).