2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine

C16H24N2O2S — CID 110185903

IUPAC2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine
SMILESCc1cccc(SC2CCN(CCC3OCCO3)CC2)n1
InChIInChI=1S/C16H24N2O2S/c1-13-3-2-4-15(17-13)21-14-5-8-18(9-6-14)10-7-16-19-11-12-20-16/h2-4,14,16H,5-12H2,1H3
InChIKeyPMZRBCPINLXGKP-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.71
Rot. Bonds5

About 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine

2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine (PubChem CID 110185903) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine.

Molecular Properties

Compound Name2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine
PubChem CID110185903
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine
SMILESCc1cccc(SC2CCN(CCC3OCCO3)CC2)n1
InChIInChI=1S/C16H24N2O2S/c1-13-3-2-4-15(17-13)21-14-5-8-18(9-6-14)10-7-16-19-11-12-20-16/h2-4,14,16H,5-12H2,1H3
InChIKeyPMZRBCPINLXGKP-UHFFFAOYSA-N
XLogP2.71
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

lithium 2-[(1S)-1-[(4S,5S)-5-methanidyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]sulfanyl-6-(trifluoromethyl)pyridine
CID 171558188
2-(trifluoromethyl)-6-[(1S)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]sulfanylpyridine
CID 171558189
2-[2-(1,3-Dioxolan-2-yl)ethylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 3398311
2-Methyl-6-(1-methylpiperidin-4-yl)sulfanylpyridine
CID 13563947
2-Chloro-6-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine
CID 13563997
10,13-Dioxa-7,16-dithia-21,22-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene
CID 24799249
10,13,16-Trioxa-7,19-dithia-24,25-diazatricyclo[18.3.1.12,6]pentacosa-1(24),2(25),3,5,20,22-hexaene
CID 85919254
2-Ethenyl-6-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethylsulfanyl]pyridine
CID 101166912
2-Ethenyl-6-[2-[2-[2-[(6-ethenyl-2-pyridinyl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]pyridine
CID 101189951
2-[2-(1,3-Dioxan-2-yl)ethylsulfanyl]-4,6-dimethylpyridine
CID 102925442
2-Chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine
CID 110185794
2-Chloro-6-[1-(3,3-diethoxypropyl)piperidin-4-yl]sulfanylpyridine
CID 110185796

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine?
The IUPAC name of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine (CID 110185903) is 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine.
What is the SMILES notation for 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine?
The canonical SMILES for 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine is Cc1cccc(SC2CCN(CCC3OCCO3)CC2)n1.
What is the InChIKey of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine?
The InChIKey is PMZRBCPINLXGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-3-2-4-15(17-13)21-14-5-8-18(9-6-14)10-7-16-19-11-12-20-16/h2-4,14,16H,5-12H2,1H3.
What are the key properties of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine?
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine has a molecular weight of 308.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]sulfanyl-6-methylpyridine is sourced from PubChem (CID 110185903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).