1-[5-(3-methylbutylsulfinyl)pentyl]piperidine

C15H31NOS — CID 18965251

IUPAC1-[5-(3-methylbutylsulfinyl)pentyl]piperidine
SMILESCC(C)CCS(=O)CCCCCN1CCCCC1
InChIInChI=1S/C15H31NOS/c1-15(2)9-14-18(17)13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3
InChIKeyWWIHPBISXXLJSC-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.44
Rot. Bonds9

About 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine

1-[5-(3-methylbutylsulfinyl)pentyl]piperidine (PubChem CID 18965251) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(3-methylbutylsulfinyl)pentyl]piperidine
PubChem CID18965251
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name1-[5-(3-methylbutylsulfinyl)pentyl]piperidine
SMILESCC(C)CCS(=O)CCCCCN1CCCCC1
InChIInChI=1S/C15H31NOS/c1-15(2)9-14-18(17)13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3
InChIKeyWWIHPBISXXLJSC-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine?
The IUPAC name of 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine (CID 18965251) is 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine.
What is the SMILES notation for 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine?
The canonical SMILES for 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine is CC(C)CCS(=O)CCCCCN1CCCCC1.
What is the InChIKey of 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine?
The InChIKey is WWIHPBISXXLJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-15(2)9-14-18(17)13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine?
1-[5-(3-methylbutylsulfinyl)pentyl]piperidine has a molecular weight of 273.49 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbutylsulfinyl)pentyl]piperidine is sourced from PubChem (CID 18965251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).