4-propan-2-yl-1-propylsulfanylpiperidine

C11H23NS — CID 170610801

IUPAC4-propan-2-yl-1-propylsulfanylpiperidine
SMILESCCCSN1CCC(C(C)C)CC1
InChIInChI=1S/C11H23NS/c1-4-9-13-12-7-5-11(6-8-12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyQDSBNFJQDAGQRH-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.41
Rot. Bonds4

About 4-propan-2-yl-1-propylsulfanylpiperidine

4-propan-2-yl-1-propylsulfanylpiperidine (PubChem CID 170610801) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-propan-2-yl-1-propylsulfanylpiperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-propylsulfanylpiperidine
PubChem CID170610801
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-propan-2-yl-1-propylsulfanylpiperidine
SMILESCCCSN1CCC(C(C)C)CC1
InChIInChI=1S/C11H23NS/c1-4-9-13-12-7-5-11(6-8-12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyQDSBNFJQDAGQRH-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-piperidin-1-yl-1-propylsulfanylpiperidine
CID 123321726
1-methylperoxysulfanyl-4-propan-2-ylpiperidine
CID 59588504
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1-piperidin-1-yl-4-propan-2-ylpiperidine
CID 59686721
1,4-di(propan-2-yl)piperidine
CID 21303253
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
1-decyl-4-propan-2-ylpiperidine
CID 166461232
propane;propan-2-ylcyclopentane
CID 91615250
1-(4-methylsulfanylphenyl)sulfanyl-4-propan-2-ylpiperidine
CID 166753959

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-propylsulfanylpiperidine?
The IUPAC name of 4-propan-2-yl-1-propylsulfanylpiperidine (CID 170610801) is 4-propan-2-yl-1-propylsulfanylpiperidine.
What is the SMILES notation for 4-propan-2-yl-1-propylsulfanylpiperidine?
The canonical SMILES for 4-propan-2-yl-1-propylsulfanylpiperidine is CCCSN1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-1-propylsulfanylpiperidine?
The InChIKey is QDSBNFJQDAGQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-9-13-12-7-5-11(6-8-12)10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-propylsulfanylpiperidine?
4-propan-2-yl-1-propylsulfanylpiperidine has a molecular weight of 201.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-propylsulfanylpiperidine is sourced from PubChem (CID 170610801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).