(3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine

C15H23NS — CID 10264090

IUPAC(3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine
SMILESCCCN1CCC[C@@H](c2cccc(SC)c2)C1
InChIInChI=1S/C15H23NS/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)17-2/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyDQQBAKJEWKQXPD-CQSZACIVSA-N
MW249.42 g/mol
LogP4.00
Rot. Bonds4

About (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine

(3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine (PubChem CID 10264090) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name(3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine
PubChem CID10264090
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine
SMILESCCCN1CCC[C@@H](c2cccc(SC)c2)C1
InChIInChI=1S/C15H23NS/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)17-2/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyDQQBAKJEWKQXPD-CQSZACIVSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine?
The IUPAC name of (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine (CID 10264090) is (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine.
What is the SMILES notation for (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine?
The canonical SMILES for (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine is CCCN1CCC[C@@H](c2cccc(SC)c2)C1.
What is the InChIKey of (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine?
The InChIKey is DQQBAKJEWKQXPD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)17-2/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine?
(3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine has a molecular weight of 249.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylsulfanylphenyl)-1-propylpiperidine is sourced from PubChem (CID 10264090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).