cyclohexyl-(cyclohexylamino)carbamodithioic acid

C13H24N2S2 — CID 87476761

IUPACcyclohexyl-(cyclohexylamino)carbamodithioic acid
SMILESS=C(S)N(NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2S2/c16-13(17)15(12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h11-12,14H,1-10H2,(H,16,17)
InChIKeyRHFPTEQLVPMONJ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.67
Rot. Bonds3

About cyclohexyl-(cyclohexylamino)carbamodithioic acid

cyclohexyl-(cyclohexylamino)carbamodithioic acid (PubChem CID 87476761) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is cyclohexyl-(cyclohexylamino)carbamodithioic acid.

Molecular Properties

Compound Namecyclohexyl-(cyclohexylamino)carbamodithioic acid
PubChem CID87476761
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Namecyclohexyl-(cyclohexylamino)carbamodithioic acid
SMILESS=C(S)N(NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2S2/c16-13(17)15(12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h11-12,14H,1-10H2,(H,16,17)
InChIKeyRHFPTEQLVPMONJ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze cyclohexyl-(cyclohexylamino)carbamodithioic acid 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

cyclooctylcarbamodithioic acid
CID 150069729
N-(cyclohexylamino)-N-methylhydroxylamine
CID 170577947
1,1,3,3-tetracyclohexylthiourea
CID 12935848
1,2-di(cyclononyl)hydrazine
CID 155042261
cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid
CID 151798740
cycloheptylthiourea
CID 13433274
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777
1-N'-(cyclobutylamino)-1-N'-(cyclopentylamino)-1-N-cyclopropylcyclohexane-1,1-diamine
CID 154365130
1-cycloheptyl-1,3-dimethylthiourea
CID 115576089
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
N-cyclohexylethanethioamide;ethane
CID 142134846
N,N-dicyclohexylnitrous amide
CID 13697

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(cyclohexylamino)carbamodithioic acid?
The IUPAC name of cyclohexyl-(cyclohexylamino)carbamodithioic acid (CID 87476761) is cyclohexyl-(cyclohexylamino)carbamodithioic acid.
What is the SMILES notation for cyclohexyl-(cyclohexylamino)carbamodithioic acid?
The canonical SMILES for cyclohexyl-(cyclohexylamino)carbamodithioic acid is S=C(S)N(NC1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(cyclohexylamino)carbamodithioic acid?
The InChIKey is RHFPTEQLVPMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c16-13(17)15(12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h11-12,14H,1-10H2,(H,16,17).
What are the key properties of cyclohexyl-(cyclohexylamino)carbamodithioic acid?
cyclohexyl-(cyclohexylamino)carbamodithioic acid has a molecular weight of 272.48 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(cyclohexylamino)carbamodithioic acid is sourced from PubChem (CID 87476761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).