2-(2-propylhexylsulfanyl)piperidine

C14H29NS — CID 163417778

IUPAC2-(2-propylhexylsulfanyl)piperidine
SMILESCCCCC(CCC)CSC1CCCCN1
InChIInChI=1S/C14H29NS/c1-3-5-9-13(8-4-2)12-16-14-10-6-7-11-15-14/h13-15H,3-12H2,1-2H3
InChIKeyAFXFWHCQGJFAQG-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.43
Rot. Bonds8

About 2-(2-propylhexylsulfanyl)piperidine

2-(2-propylhexylsulfanyl)piperidine (PubChem CID 163417778) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2-(2-propylhexylsulfanyl)piperidine.

Molecular Properties

Compound Name2-(2-propylhexylsulfanyl)piperidine
PubChem CID163417778
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2-(2-propylhexylsulfanyl)piperidine
SMILESCCCCC(CCC)CSC1CCCCN1
InChIInChI=1S/C14H29NS/c1-3-5-9-13(8-4-2)12-16-14-10-6-7-11-15-14/h13-15H,3-12H2,1-2H3
InChIKeyAFXFWHCQGJFAQG-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylhexylsulfanyl)piperidine?
The IUPAC name of 2-(2-propylhexylsulfanyl)piperidine (CID 163417778) is 2-(2-propylhexylsulfanyl)piperidine.
What is the SMILES notation for 2-(2-propylhexylsulfanyl)piperidine?
The canonical SMILES for 2-(2-propylhexylsulfanyl)piperidine is CCCCC(CCC)CSC1CCCCN1.
What is the InChIKey of 2-(2-propylhexylsulfanyl)piperidine?
The InChIKey is AFXFWHCQGJFAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-3-5-9-13(8-4-2)12-16-14-10-6-7-11-15-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(2-propylhexylsulfanyl)piperidine?
2-(2-propylhexylsulfanyl)piperidine has a molecular weight of 243.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylhexylsulfanyl)piperidine is sourced from PubChem (CID 163417778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).