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

C14H19NO2S — CID 107036646

IUPACN-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
SMILESCN(C(=O)c1ccc(S)cc1)C1CCCCC1O
InChIInChI=1S/C14H19NO2S/c1-15(12-4-2-3-5-13(12)16)14(17)10-6-8-11(18)9-7-10/h6-9,12-13,16,18H,2-5H2,1H3
InChIKeyDXFVZSSINHVCGU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.35
Rot. Bonds2

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

N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide (PubChem CID 107036646) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
PubChem CID107036646
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
SMILESCN(C(=O)c1ccc(S)cc1)C1CCCCC1O
InChIInChI=1S/C14H19NO2S/c1-15(12-4-2-3-5-13(12)16)14(17)10-6-8-11(18)9-7-10/h6-9,12-13,16,18H,2-5H2,1H3
InChIKeyDXFVZSSINHVCGU-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 102634950
2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107036632
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide (CID 107036646) is N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide is CN(C(=O)c1ccc(S)cc1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide?
The InChIKey is DXFVZSSINHVCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-15(12-4-2-3-5-13(12)16)14(17)10-6-8-11(18)9-7-10/h6-9,12-13,16,18H,2-5H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide?
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide has a molecular weight of 265.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide is sourced from PubChem (CID 107036646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).