N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide

C15H20N2O2S — CID 2122299

IUPACN'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O2S/c18-14(11-20-13-9-5-2-6-10-13)16-17-15(19)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,18)(H,17,19)
InChIKeyRZEJBDUPMPBWIB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.51
Rot. Bonds4

About N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide

N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide (PubChem CID 2122299) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
PubChem CID2122299
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O2S/c18-14(11-20-13-9-5-2-6-10-13)16-17-15(19)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,18)(H,17,19)
InChIKeyRZEJBDUPMPBWIB-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1435013
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carbohydrazide
CID 55738775
4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 18907682
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[(2-phenylsulfanylacetyl)amino]thiourea
CID 11945802
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
N'-phenylcyclohexanecarbohydrazide
CID 544018
N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 863319
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
2-phenylsulfanylacetohydrazide
CID 7037418

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide?
The IUPAC name of N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide (CID 2122299) is N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide is O=C(CSc1ccccc1)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide?
The InChIKey is RZEJBDUPMPBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-14(11-20-13-9-5-2-6-10-13)16-17-15(19)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide?
N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide has a molecular weight of 292.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide is sourced from PubChem (CID 2122299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).