N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine

C16H20N2S — CID 80650999

IUPACN-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cccc(Sc2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C16H20N2S/c1-12(2)17-10-14-7-8-16(18-11-14)19-15-6-4-5-13(3)9-15/h4-9,11-12,17H,10H2,1-3H3
InChIKeyHNXWKSCCCVAQSY-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.04
Rot. Bonds5

About N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80650999) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80650999
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cccc(Sc2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C16H20N2S/c1-12(2)17-10-14-7-8-16(18-11-14)19-15-6-4-5-13(3)9-15/h4-9,11-12,17H,10H2,1-3H3
InChIKeyHNXWKSCCCVAQSY-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639848
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80651493
N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293176
5-(3-methylphenyl)sulfanylpyrazin-2-amine
CID 80664435
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
N-[[6-(3-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80628623
N-[(3-methyl-4-phenylsulfanylphenyl)methyl]propan-2-amine
CID 63805209
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 63839132

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine (CID 80650999) is N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine is Cc1cccc(Sc2ccc(CNC(C)C)cn2)c1.
What is the InChIKey of N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HNXWKSCCCVAQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12(2)17-10-14-7-8-16(18-11-14)19-15-6-4-5-13(3)9-15/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80650999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).