N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine

C17H22N2S — CID 80639770

IUPACN-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C17H22N2S/c1-4-18-11-14-5-10-17(19-12-14)20-16-8-6-15(7-9-16)13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyYUMVUIBGKJECAL-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.47
Rot. Bonds6

About N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine

N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80639770) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
PubChem CID80639770
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C17H22N2S/c1-4-18-11-14-5-10-17(19-12-14)20-16-8-6-15(7-9-16)13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyYUMVUIBGKJECAL-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639477
N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
CID 80639523
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-[[6-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639848
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239647
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine (CID 80639770) is N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Sc2ccc(C(C)C)cc2)nc1.
What is the InChIKey of N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is YUMVUIBGKJECAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-18-11-14-5-10-17(19-12-14)20-16-8-6-15(7-9-16)13(2)3/h5-10,12-13,18H,4,11H2,1-3H3.
What are the key properties of N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80639770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).