[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone

C15H21NOS — CID 116917614

IUPAC[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
SMILESCNC1CCC(C(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C15H21NOS/c1-16-13-7-3-11(4-8-13)15(17)12-5-9-14(18-2)10-6-12/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
InChIKeyRWAUBPDCXICYNI-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds4

About [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone

[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone (PubChem CID 116917614) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
PubChem CID116917614
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
SMILESCNC1CCC(C(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C15H21NOS/c1-16-13-7-3-11(4-8-13)15(17)12-5-9-14(18-2)10-6-12/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
InChIKeyRWAUBPDCXICYNI-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
[1-[(Z)-but-2-en-2-yl]pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 145439896
N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
CID 116926358
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
1-cyclopropyl-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 162468006

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone (CID 116917614) is [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone is CNC1CCC(C(=O)c2ccc(SC)cc2)CC1.
What is the InChIKey of [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is RWAUBPDCXICYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-16-13-7-3-11(4-8-13)15(17)12-5-9-14(18-2)10-6-12/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone?
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 263.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 116917614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).