1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine

C17H20N2S — CID 107166017

IUPAC1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCSC2)c2ccncc2)cc1
InChIInChI=1S/C17H20N2S/c1-2-4-15(5-3-1)17(16-6-9-18-10-7-16)19-12-14-8-11-20-13-14/h1-7,9-10,14,17,19H,8,11-13H2
InChIKeyYPSMBQANCNSAKU-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.51
Rot. Bonds5

About 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine

1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine (PubChem CID 107166017) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine
PubChem CID107166017
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCSC2)c2ccncc2)cc1
InChIInChI=1S/C17H20N2S/c1-2-4-15(5-3-1)17(16-6-9-18-10-7-16)19-12-14-8-11-20-13-14/h1-7,9-10,14,17,19H,8,11-13H2
InChIKeyYPSMBQANCNSAKU-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
(1S)-1-(2-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132284
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine
CID 107295216
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine (CID 107166017) is 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine is c1ccc(C(NCC2CCSC2)c2ccncc2)cc1.
What is the InChIKey of 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine?
The InChIKey is YPSMBQANCNSAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-4-15(5-3-1)17(16-6-9-18-10-7-16)19-12-14-8-11-20-13-14/h1-7,9-10,14,17,19H,8,11-13H2.
What are the key properties of 1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine?
1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine has a molecular weight of 284.43 g/mol, XLogP of 3.51, 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-4-yl-N-(thiolan-3-ylmethyl)methanamine is sourced from PubChem (CID 107166017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).