4-propan-2-ylsulfanylpiperidine

C8H17NS — CID 54318688

IUPAC4-propan-2-ylsulfanylpiperidine
SMILESCC(C)SC1CCNCC1
InChIInChI=1S/C8H17NS/c1-7(2)10-8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDDFLPQUWAAQVNB-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds2

About 4-propan-2-ylsulfanylpiperidine

4-propan-2-ylsulfanylpiperidine (PubChem CID 54318688) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-propan-2-ylsulfanylpiperidine.

Molecular Properties

Compound Name4-propan-2-ylsulfanylpiperidine
PubChem CID54318688
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-propan-2-ylsulfanylpiperidine
SMILESCC(C)SC1CCNCC1
InChIInChI=1S/C8H17NS/c1-7(2)10-8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDDFLPQUWAAQVNB-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanylpiperidine?
The IUPAC name of 4-propan-2-ylsulfanylpiperidine (CID 54318688) is 4-propan-2-ylsulfanylpiperidine.
What is the SMILES notation for 4-propan-2-ylsulfanylpiperidine?
The canonical SMILES for 4-propan-2-ylsulfanylpiperidine is CC(C)SC1CCNCC1.
What is the InChIKey of 4-propan-2-ylsulfanylpiperidine?
The InChIKey is DDFLPQUWAAQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)10-8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylsulfanylpiperidine?
4-propan-2-ylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanylpiperidine is sourced from PubChem (CID 54318688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).