1-(3-tert-butylsulfanylpropyl)piperidine

C12H25NS — CID 161387575

IUPAC1-(3-tert-butylsulfanylpropyl)piperidine
SMILESCC(C)(C)SCCCN1CCCCC1
InChIInChI=1S/C12H25NS/c1-12(2,3)14-11-7-10-13-8-5-4-6-9-13/h4-11H2,1-3H3
InChIKeyVSOAXJSMVIRPSG-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-tert-butylsulfanylpropyl)piperidine

1-(3-tert-butylsulfanylpropyl)piperidine (PubChem CID 161387575) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-(3-tert-butylsulfanylpropyl)piperidine.

Molecular Properties

Compound Name1-(3-tert-butylsulfanylpropyl)piperidine
PubChem CID161387575
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-(3-tert-butylsulfanylpropyl)piperidine
SMILESCC(C)(C)SCCCN1CCCCC1
InChIInChI=1S/C12H25NS/c1-12(2,3)14-11-7-10-13-8-5-4-6-9-13/h4-11H2,1-3H3
InChIKeyVSOAXJSMVIRPSG-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.39
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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Related Compounds

3-piperidin-1-ylpropyl thiohypochlorite
CID 22894470
1-(3-propan-2-ylsulfanylpropyl)piperidine
CID 126550120
1-(tert-butylsulfanylmethyl)pyrrolidine
CID 118259816
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
1-(2-tert-butylsulfanylethyl)piperazine
CID 58842925
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-(3,3-dimethylbutyl)azocane
CID 166986973
2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine
CID 66221864
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
1-decylpiperidine
CID 4649960
1-dodecylazepane
CID 3366129

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylsulfanylpropyl)piperidine?
The IUPAC name of 1-(3-tert-butylsulfanylpropyl)piperidine (CID 161387575) is 1-(3-tert-butylsulfanylpropyl)piperidine.
What is the SMILES notation for 1-(3-tert-butylsulfanylpropyl)piperidine?
The canonical SMILES for 1-(3-tert-butylsulfanylpropyl)piperidine is CC(C)(C)SCCCN1CCCCC1.
What is the InChIKey of 1-(3-tert-butylsulfanylpropyl)piperidine?
The InChIKey is VSOAXJSMVIRPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)14-11-7-10-13-8-5-4-6-9-13/h4-11H2,1-3H3.
What are the key properties of 1-(3-tert-butylsulfanylpropyl)piperidine?
1-(3-tert-butylsulfanylpropyl)piperidine has a molecular weight of 215.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylsulfanylpropyl)piperidine is sourced from PubChem (CID 161387575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).