2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine

C15H24N2OS — CID 102925959

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCc1cc(C)nc(SC(C)CNCC2CCCO2)c1
InChIInChI=1S/C15H24N2OS/c1-11-7-12(2)17-15(8-11)19-13(3)9-16-10-14-5-4-6-18-14/h7-8,13-14,16H,4-6,9-10H2,1-3H3
InChIKeyUVMCOHUNHVPPLY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.95
Rot. Bonds6

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 102925959) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID102925959
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCc1cc(C)nc(SC(C)CNCC2CCCO2)c1
InChIInChI=1S/C15H24N2OS/c1-11-7-12(2)17-15(8-11)19-13(3)9-16-10-14-5-4-6-18-14/h7-8,13-14,16H,4-6,9-10H2,1-3H3
InChIKeyUVMCOHUNHVPPLY-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113431867
2-[(3-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62764881
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
CID 102925906
2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62582422
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63659784
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine (CID 102925959) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine is Cc1cc(C)nc(SC(C)CNCC2CCCO2)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is UVMCOHUNHVPPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-7-12(2)17-15(8-11)19-13(3)9-16-10-14-5-4-6-18-14/h7-8,13-14,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102925959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).