3-(propan-2-ylsulfanylmethyl)piperidine

C9H19NS — CID 54383635

IUPAC3-(propan-2-ylsulfanylmethyl)piperidine
SMILESCC(C)SCC1CCCNC1
InChIInChI=1S/C9H19NS/c1-8(2)11-7-9-4-3-5-10-6-9/h8-10H,3-7H2,1-2H3
InChIKeyOIWVHBCHTFAYKL-UHFFFAOYSA-N
MW173.33 g/mol
LogP2.13
Rot. Bonds3

About 3-(propan-2-ylsulfanylmethyl)piperidine

3-(propan-2-ylsulfanylmethyl)piperidine (PubChem CID 54383635) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is 3-(propan-2-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name3-(propan-2-ylsulfanylmethyl)piperidine
PubChem CID54383635
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC Name3-(propan-2-ylsulfanylmethyl)piperidine
SMILESCC(C)SCC1CCCNC1
InChIInChI=1S/C9H19NS/c1-8(2)11-7-9-4-3-5-10-6-9/h8-10H,3-7H2,1-2H3
InChIKeyOIWVHBCHTFAYKL-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfanylmethyl)piperidine?
The IUPAC name of 3-(propan-2-ylsulfanylmethyl)piperidine (CID 54383635) is 3-(propan-2-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 3-(propan-2-ylsulfanylmethyl)piperidine?
The canonical SMILES for 3-(propan-2-ylsulfanylmethyl)piperidine is CC(C)SCC1CCCNC1.
What is the InChIKey of 3-(propan-2-ylsulfanylmethyl)piperidine?
The InChIKey is OIWVHBCHTFAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)11-7-9-4-3-5-10-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfanylmethyl)piperidine?
3-(propan-2-ylsulfanylmethyl)piperidine has a molecular weight of 173.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 54383635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).