N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline

C26H36N2S2 — CID 130246640

IUPACN-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline
SMILESc1ccc(N(SCCSN(c2ccccc2)C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H36N2S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3,5-6,9-10,13-14,17-18,24,26H,2,4,7-8,11-12,15-16,19-22H2
InChIKeyPSNQEMKHZUXJES-UHFFFAOYSA-N
MW440.72 g/mol
LogP7.96
Rot. Bonds9

About N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline

N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline (PubChem CID 130246640) has the molecular formula C26H36N2S2 and a molecular weight of 440.72 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline
PubChem CID130246640
Molecular FormulaC26H36N2S2
Molecular Weight440.72 g/mol
Exact Mass440.23
IUPAC NameN-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline
SMILESc1ccc(N(SCCSN(c2ccccc2)C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H36N2S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3,5-6,9-10,13-14,17-18,24,26H,2,4,7-8,11-12,15-16,19-22H2
InChIKeyPSNQEMKHZUXJES-UHFFFAOYSA-N
XLogP7.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-fluoroaniline
CID 139617902
N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline
CID 123743230
N-cyclohexyl-N-[(N-cyclohexylanilino)silylmethylsilyl]aniline
CID 123940433
3-(N-cyclohexylanilino)propanenitrile
CID 43183263
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138
N-cyclohexyl-4-methyl-N-phenylaniline
CID 58662978
N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584837
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
CID 163198375
N,N'-dicyclohexyl-N-phenylmethanimidamide
CID 162716598
N-benzyl-N-bromocyclohexanamine
CID 140997611

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline?
The IUPAC name of N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline (CID 130246640) is N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline.
What is the SMILES notation for N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline?
The canonical SMILES for N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline is c1ccc(N(SCCSN(c2ccccc2)C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline?
The InChIKey is PSNQEMKHZUXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3,5-6,9-10,13-14,17-18,24,26H,2,4,7-8,11-12,15-16,19-22H2.
What are the key properties of N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline?
N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline has a molecular weight of 440.72 g/mol, XLogP of 7.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(N-cyclohexylanilino)sulfanylethylsulfanyl]aniline is sourced from PubChem (CID 130246640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).