2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine

C16H26N2S — CID 102542275

IUPAC2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine
SMILESCCCN1CCCCC1c1ccc(SC(C)C)nc1
InChIInChI=1S/C16H26N2S/c1-4-10-18-11-6-5-7-15(18)14-8-9-16(17-12-14)19-13(2)3/h8-9,12-13,15H,4-7,10-11H2,1-3H3
InChIKeyRKQAUPNXTVSWIW-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.52
Rot. Bonds5

About 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine

2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine (PubChem CID 102542275) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine
PubChem CID102542275
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine
SMILESCCCN1CCCCC1c1ccc(SC(C)C)nc1
InChIInChI=1S/C16H26N2S/c1-4-10-18-11-6-5-7-15(18)14-8-9-16(17-12-14)19-13(2)3/h8-9,12-13,15H,4-7,10-11H2,1-3H3
InChIKeyRKQAUPNXTVSWIW-UHFFFAOYSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-5-[(2R)-1-propylpiperidin-2-yl]pyridin-2-amine
CID 124552654
N-phenyl-5-(1-propylpiperidin-2-yl)pyridin-2-amine
CID 102540524
(2R)-2-(furan-3-yl)-1-propylpiperidine
CID 124500902
tert-butyl N-cyclopropyl-N-[5-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541132
N-cyclobutyl-5-(1-ethylpiperidin-2-yl)pyridin-2-amine
CID 102540395
N-butan-2-yl-5-(1-ethylpyrrolidin-2-yl)pyridin-2-amine
CID 102540222
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
4-methyl-3-(1-propylpiperidin-2-yl)pyridine
CID 102539167
2-methyl-4-[(2R)-1-propylpyrrolidin-2-yl]pyridine
CID 124500080
5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541889
N,N,3-trimethyl-5-(1-propylpyrrolidin-2-yl)pyridin-2-amine
CID 102542851
5-(1-butylpiperidin-2-yl)-3-methylpyridin-2-amine
CID 102542773

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine?
The IUPAC name of 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine (CID 102542275) is 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine?
The canonical SMILES for 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine is CCCN1CCCCC1c1ccc(SC(C)C)nc1.
What is the InChIKey of 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine?
The InChIKey is RKQAUPNXTVSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-10-18-11-6-5-7-15(18)14-8-9-16(17-12-14)19-13(2)3/h8-9,12-13,15H,4-7,10-11H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine?
2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine has a molecular weight of 278.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-5-(1-propylpiperidin-2-yl)pyridine is sourced from PubChem (CID 102542275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).