N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide

C15H21NOS — CID 8624319

IUPACN-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C15H21NOS/c1-11-5-3-4-6-14(11)16-15(17)12-7-9-13(18-2)10-8-12/h7-11,14H,3-6H2,1-2H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyZJCSLUSNLZYZLM-FZMZJTMJSA-N
MW263.41 g/mol
LogP3.72
Rot. Bonds3

About N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide

N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide (PubChem CID 8624319) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
PubChem CID8624319
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C15H21NOS/c1-11-5-3-4-6-14(11)16-15(17)12-7-9-13(18-2)10-8-12/h7-11,14H,3-6H2,1-2H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyZJCSLUSNLZYZLM-FZMZJTMJSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366
4-hydrazinyl-N-(2-methylcyclopentyl)benzamide
CID 63279138
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 24537639
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8508062
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)thiourea
CID 8564855

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide (CID 8624319) is N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide?
The InChIKey is ZJCSLUSNLZYZLM-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-5-3-4-6-14(11)16-15(17)12-7-9-13(18-2)10-8-12/h7-11,14H,3-6H2,1-2H3,(H,16,17)/t11-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide?
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide has a molecular weight of 263.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 8624319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).