N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide

C14H19NOS2 — CID 114124428

IUPACN-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
SMILESCSC1CCCCC1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H19NOS2/c1-18-13-5-3-2-4-12(13)15-14(16)10-6-8-11(17)9-7-10/h6-9,12-13,17H,2-5H2,1H3,(H,15,16)
InChIKeyWZRRUHSXLANEEN-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.38
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide

N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide (PubChem CID 114124428) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
PubChem CID114124428
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC NameN-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
SMILESCSC1CCCCC1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H19NOS2/c1-18-13-5-3-2-4-12(13)15-14(16)10-6-8-11(17)9-7-10/h6-9,12-13,17H,2-5H2,1H3,(H,15,16)
InChIKeyWZRRUHSXLANEEN-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.38
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-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
CID 97215389
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
3-[(2-methylsulfanylcyclohexyl)carbamoyl]benzoic acid
CID 103866458
3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
CID 104628956
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
CID 106812109
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide (CID 114124428) is N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide is CSC1CCCCC1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide?
The InChIKey is WZRRUHSXLANEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-18-13-5-3-2-4-12(13)15-14(16)10-6-8-11(17)9-7-10/h6-9,12-13,17H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide?
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide has a molecular weight of 281.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide is sourced from PubChem (CID 114124428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).