1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine

C18H22N2S — CID 115971963

IUPAC1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCSCC2)c2ccccn2)cc1
InChIInChI=1S/C18H22N2S/c1-2-6-16(7-3-1)18(17-8-4-5-11-19-17)20-14-15-9-12-21-13-10-15/h1-8,11,15,18,20H,9-10,12-14H2
InChIKeyNJDOJDSXIMRHJJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.90
Rot. Bonds5

About 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine

1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine (PubChem CID 115971963) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
PubChem CID115971963
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCSCC2)c2ccccn2)cc1
InChIInChI=1S/C18H22N2S/c1-2-6-16(7-3-1)18(17-8-4-5-11-19-17)20-14-15-9-12-21-13-10-15/h1-8,11,15,18,20H,9-10,12-14H2
InChIKeyNJDOJDSXIMRHJJ-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine
CID 107166017
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 100748164
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 80726511

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine (CID 115971963) is 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine is c1ccc(C(NCC2CCSCC2)c2ccccn2)cc1.
What is the InChIKey of 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine?
The InChIKey is NJDOJDSXIMRHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-6-16(7-3-1)18(17-8-4-5-11-19-17)20-14-15-9-12-21-13-10-15/h1-8,11,15,18,20H,9-10,12-14H2.
What are the key properties of 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine?
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine has a molecular weight of 298.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine is sourced from PubChem (CID 115971963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).