N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide

C15H21NOS — CID 107031002

IUPACN-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
SMILESCC1CCC(NC(=O)c2ccccc2S)CC1C
InChIInChI=1S/C15H21NOS/c1-10-7-8-12(9-11(10)2)16-15(17)13-5-3-4-6-14(13)18/h3-6,10-12,18H,7-9H2,1-2H3,(H,16,17)
InChIKeySCNGGUAKAUJDMT-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.53
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide

N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide (PubChem CID 107031002) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
PubChem CID107031002
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
SMILESCC1CCC(NC(=O)c2ccccc2S)CC1C
InChIInChI=1S/C15H21NOS/c1-10-7-8-12(9-11(10)2)16-15(17)13-5-3-4-6-14(13)18/h3-6,10-12,18H,7-9H2,1-2H3,(H,16,17)
InChIKeySCNGGUAKAUJDMT-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 64741251
N-cyclopent-3-en-1-yl-2-sulfanylbenzamide
CID 107035267
2-[2-[(3,4-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 104601603
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039154
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
phenyl N-(3,4-dimethylcyclohexyl)carbamate
CID 64747807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide (CID 107031002) is N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide is CC1CCC(NC(=O)c2ccccc2S)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide?
The InChIKey is SCNGGUAKAUJDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10-7-8-12(9-11(10)2)16-15(17)13-5-3-4-6-14(13)18/h3-6,10-12,18H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide?
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide has a molecular weight of 263.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107031002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).