N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide

C15H21NO2S — CID 102634914

IUPACN-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)C2CCCCC2O)cc1
InChIInChI=1S/C15H21NO2S/c1-16(13-5-3-4-6-14(13)17)15(18)11-7-9-12(19-2)10-8-11/h7-10,13-14,17H,3-6H2,1-2H3
InChIKeyHBBKHYQGUMKVCS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.78
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide

N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 102634914) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID102634914
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)C2CCCCC2O)cc1
InChIInChI=1S/C15H21NO2S/c1-16(13-5-3-4-6-14(13)17)15(18)11-7-9-12(19-2)10-8-11/h7-10,13-14,17H,3-6H2,1-2H3
InChIKeyHBBKHYQGUMKVCS-UHFFFAOYSA-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 ≤ 500279.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 102634950
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide (CID 102634914) is N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)C2CCCCC2O)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is HBBKHYQGUMKVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16(13-5-3-4-6-14(13)17)15(18)11-7-9-12(19-2)10-8-11/h7-10,13-14,17H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide?
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 279.41 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-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 102634914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).