1-(3-propan-2-ylsulfanylpropyl)piperidine

C11H23NS — CID 126550120

IUPAC1-(3-propan-2-ylsulfanylpropyl)piperidine
SMILESCC(C)SCCCN1CCCCC1
InChIInChI=1S/C11H23NS/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h11H,3-10H2,1-2H3
InChIKeyPSOZIJHBTCABRA-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds5

About 1-(3-propan-2-ylsulfanylpropyl)piperidine

1-(3-propan-2-ylsulfanylpropyl)piperidine (PubChem CID 126550120) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(3-propan-2-ylsulfanylpropyl)piperidine.

Molecular Properties

Compound Name1-(3-propan-2-ylsulfanylpropyl)piperidine
PubChem CID126550120
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(3-propan-2-ylsulfanylpropyl)piperidine
SMILESCC(C)SCCCN1CCCCC1
InChIInChI=1S/C11H23NS/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h11H,3-10H2,1-2H3
InChIKeyPSOZIJHBTCABRA-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.00
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-tert-butylsulfanylpropyl)piperidine
CID 161387575
methyl 3-(3-pyrrolidin-1-ylpropylsulfanyl)butanoate
CID 66113507
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 130474542
1-(3-piperidin-1-ylpropylsulfanyl)octadecan-2-ol;hydrochloride
CID 70616867
1-decylpiperidine
CID 4649960
1-dodecylazepane
CID 3366129
1-octylazonane
CID 20533821
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylsulfanylpropyl)piperidine?
The IUPAC name of 1-(3-propan-2-ylsulfanylpropyl)piperidine (CID 126550120) is 1-(3-propan-2-ylsulfanylpropyl)piperidine.
What is the SMILES notation for 1-(3-propan-2-ylsulfanylpropyl)piperidine?
The canonical SMILES for 1-(3-propan-2-ylsulfanylpropyl)piperidine is CC(C)SCCCN1CCCCC1.
What is the InChIKey of 1-(3-propan-2-ylsulfanylpropyl)piperidine?
The InChIKey is PSOZIJHBTCABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylsulfanylpropyl)piperidine?
1-(3-propan-2-ylsulfanylpropyl)piperidine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylsulfanylpropyl)piperidine is sourced from PubChem (CID 126550120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).