1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine

C14H29N2PS2 — CID 122186104

IUPAC1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine
SMILESS=P(S)(NCC1CCCCC1)NCC1CCCCC1
InChIInChI=1S/C14H29N2PS2/c18-17(19,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H3,15,16,18,19)
InChIKeyCHQUMZYMOKQIRE-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.48
Rot. Bonds6

About 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine

1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine (PubChem CID 122186104) has the molecular formula C14H29N2PS2 and a molecular weight of 320.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine
PubChem CID122186104
Molecular FormulaC14H29N2PS2
Molecular Weight320.51 g/mol
Exact Mass320.15
IUPAC Name1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine
SMILESS=P(S)(NCC1CCCCC1)NCC1CCCCC1
InChIInChI=1S/C14H29N2PS2/c18-17(19,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H3,15,16,18,19)
InChIKeyCHQUMZYMOKQIRE-UHFFFAOYSA-N
XLogP4.48
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine 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

(cyclohexylmethylamino)phosphonic acid
CID 166772294
(cyclononylmethylamino)methanol
CID 137465268
1-cyclohexyl-N-methoxymethanamine
CID 54238767
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
2-(cycloundecylmethylamino)ethanol
CID 123930521
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
cyclononylmethanethiol
CID 88545398
(cyclohexylmethylamino)thiourea
CID 90036108
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
N-(cyclohexylmethyl)bicyclo[3.1.0]hexan-6-amine
CID 131176637

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine (CID 122186104) is 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine is S=P(S)(NCC1CCCCC1)NCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine?
The InChIKey is CHQUMZYMOKQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2PS2/c18-17(19,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H3,15,16,18,19).
What are the key properties of 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine?
1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine has a molecular weight of 320.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine is sourced from PubChem (CID 122186104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).