N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine

C29H29NS — CID 71322947

IUPACN-cyclohexyl-2,4,6-triphenylthiopyran-4-amine
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C29H29NS/c1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)22-28(31-27)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22,26,30H,4,11-12,19-20H2
InChIKeyJQABIQVJSUZFJM-UHFFFAOYSA-N
MW423.63 g/mol
LogP7.63
Rot. Bonds5

About N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine

N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine (PubChem CID 71322947) has the molecular formula C29H29NS and a molecular weight of 423.63 g/mol. Its IUPAC name is N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2,4,6-triphenylthiopyran-4-amine
PubChem CID71322947
Molecular FormulaC29H29NS
Molecular Weight423.63 g/mol
Exact Mass423.20
IUPAC NameN-cyclohexyl-2,4,6-triphenylthiopyran-4-amine
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C29H29NS/c1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)22-28(31-27)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22,26,30H,4,11-12,19-20H2
InChIKeyJQABIQVJSUZFJM-UHFFFAOYSA-N
XLogP7.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4,6-triphenylthiopyran-4-yl)piperidine
CID 71328944
[2-(cyclohexylamino)-1,3-dihydroinden-2-yl]methanol
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1-cyclohexyl-2-phenylhydrazine
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4-N-cyclooctyl-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;dihydrochloride
CID 69337826
1,1'-biphenyl;cycloheptane
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8,10-diphenyl-3-sulfanylidene-9-thia-2,4-diazaspiro[5.5]undeca-7,10-diene-1,5-dione
CID 10894172
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
1,1'-biphenyl;cyclohexanol
CID 142137438
[2-(cycloheptylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 61055365
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
CID 82932692
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine?
The IUPAC name of N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine (CID 71322947) is N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine.
What is the SMILES notation for N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine?
The canonical SMILES for N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine is C1=C(c2ccccc2)SC(c2ccccc2)=CC1(NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine?
The InChIKey is JQABIQVJSUZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NS/c1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)22-28(31-27)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22,26,30H,4,11-12,19-20H2.
What are the key properties of N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine?
N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine has a molecular weight of 423.63 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine is sourced from PubChem (CID 71322947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).