N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide

C15H21NO2S — CID 19798383

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO2S/c1-16(12-8-4-5-9-13(12)17)15(18)11-7-3-6-10-14(11)19-2/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyPVUKYQGCYJJDLM-CHWSQXEVSA-N
MW279.40 g/mol
LogP2.78
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide (PubChem CID 19798383) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
PubChem CID19798383
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H21NO2S/c1-16(12-8-4-5-9-13(12)17)15(18)11-7-3-6-10-14(11)19-2/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyPVUKYQGCYJJDLM-CHWSQXEVSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
2-(difluoromethoxy)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102634779
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
CID 79217283
3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102636872
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide (CID 19798383) is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide?
The InChIKey is PVUKYQGCYJJDLM-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16(12-8-4-5-9-13(12)17)15(18)11-7-3-6-10-14(11)19-2/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide has a molecular weight of 279.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide is sourced from PubChem (CID 19798383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).