N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine

C15H24N2S — CID 80627180

IUPACN-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)C1CCCCS1
InChIInChI=1S/C15H24N2S/c1-3-8-17-15(14-6-4-5-10-18-14)13-11-16-9-7-12(13)2/h7,9,11,14-15,17H,3-6,8,10H2,1-2H3
InChIKeyZHKZMKAFUAXOPE-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.72
Rot. Bonds5

About N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine

N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine (PubChem CID 80627180) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine
PubChem CID80627180
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)C1CCCCS1
InChIInChI=1S/C15H24N2S/c1-3-8-17-15(14-6-4-5-10-18-14)13-11-16-9-7-12(13)2/h7,9,11,14-15,17H,3-6,8,10H2,1-2H3
InChIKeyZHKZMKAFUAXOPE-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[(3-fluoro-4-pyridinyl)-(thian-2-yl)methyl]ethanamine
CID 113447287
N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115388266
N-[(2,3-difluorophenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626413
N-[(2-methoxy-5-methylphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626306
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627227
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
N-[(2,5-dimethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627902
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627639

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine (CID 80627180) is N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine is CCCNC(c1cnccc1C)C1CCCCS1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine?
The InChIKey is ZHKZMKAFUAXOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-8-17-15(14-6-4-5-10-18-14)13-11-16-9-7-12(13)2/h7,9,11,14-15,17H,3-6,8,10H2,1-2H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine?
N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80627180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).