N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide

C16H24N2OS — CID 79217283

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
SMILESCNC1CCC(N(C)C(=O)c2ccccc2SC)CC1
InChIInChI=1S/C16H24N2OS/c1-17-12-8-10-13(11-9-12)18(2)16(19)14-6-4-5-7-15(14)20-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyGDDAUNVNISSVIX-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide

N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide (PubChem CID 79217283) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
PubChem CID79217283
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
SMILESCNC1CCC(N(C)C(=O)c2ccccc2SC)CC1
InChIInChI=1S/C16H24N2OS/c1-17-12-8-10-13(11-9-12)18(2)16(19)14-6-4-5-7-15(14)20-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyGDDAUNVNISSVIX-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide
CID 166391273
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 117045024
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
N,3,6-trimethyl-N-[4-(methylamino)cyclohexyl]pyridazine-4-carboxamide
CID 104668822
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide (CID 79217283) is N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide is CNC1CCC(N(C)C(=O)c2ccccc2SC)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide?
The InChIKey is GDDAUNVNISSVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17-12-8-10-13(11-9-12)18(2)16(19)14-6-4-5-7-15(14)20-3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide?
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide has a molecular weight of 292.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 79217283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).