2-(3-methylsulfanylbutyl)piperidine

C10H21NS — CID 154946083

IUPAC2-(3-methylsulfanylbutyl)piperidine
SMILESCSC(C)CCC1CCCCN1
InChIInChI=1S/C10H21NS/c1-9(12-2)6-7-10-5-3-4-8-11-10/h9-11H,3-8H2,1-2H3
InChIKeyRSASPMAZLBJBKS-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-methylsulfanylbutyl)piperidine

2-(3-methylsulfanylbutyl)piperidine (PubChem CID 154946083) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(3-methylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name2-(3-methylsulfanylbutyl)piperidine
PubChem CID154946083
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(3-methylsulfanylbutyl)piperidine
SMILESCSC(C)CCC1CCCCN1
InChIInChI=1S/C10H21NS/c1-9(12-2)6-7-10-5-3-4-8-11-10/h9-11H,3-8H2,1-2H3
InChIKeyRSASPMAZLBJBKS-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylbutyl)piperidine?
The IUPAC name of 2-(3-methylsulfanylbutyl)piperidine (CID 154946083) is 2-(3-methylsulfanylbutyl)piperidine.
What is the SMILES notation for 2-(3-methylsulfanylbutyl)piperidine?
The canonical SMILES for 2-(3-methylsulfanylbutyl)piperidine is CSC(C)CCC1CCCCN1.
What is the InChIKey of 2-(3-methylsulfanylbutyl)piperidine?
The InChIKey is RSASPMAZLBJBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(12-2)6-7-10-5-3-4-8-11-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylsulfanylbutyl)piperidine?
2-(3-methylsulfanylbutyl)piperidine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylbutyl)piperidine is sourced from PubChem (CID 154946083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).