N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide

C13H17NOS — CID 177243814

IUPACN-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1=CC=CCC1=S
InChIInChI=1S/C13H17NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h4-5,8,10H,1-3,6-7,9H2,(H,14,15)
InChIKeyNOPYKRLIGHXCAM-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.69
Rot. Bonds2

About N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide

N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide (PubChem CID 177243814) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide
PubChem CID177243814
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1=CC=CCC1=S
InChIInChI=1S/C13H17NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h4-5,8,10H,1-3,6-7,9H2,(H,14,15)
InChIKeyNOPYKRLIGHXCAM-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide 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

N-cyclohexyl-5-[(cyclohexylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
CID 139905837
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
4-acetamido-N-cyclooctylbenzamide
CID 2990044
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
N-cycloheptylcycloheptanecarboxamide
CID 129091005

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide (CID 177243814) is N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide is O=C(NC1CCCCC1)C1=CC=CCC1=S.
What is the InChIKey of N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide?
The InChIKey is NOPYKRLIGHXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h4-5,8,10H,1-3,6-7,9H2,(H,14,15).
What are the key properties of N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide?
N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 177243814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).