2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine

C13H27NS — CID 58778874

IUPAC2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine
SMILESCSCC1CCC(C(C)C)CN1C(C)C
InChIInChI=1S/C13H27NS/c1-10(2)12-6-7-13(9-15-5)14(8-12)11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyGHJLQYVDZNTGTB-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.49
Rot. Bonds4

About 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine

2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine (PubChem CID 58778874) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine
PubChem CID58778874
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine
SMILESCSCC1CCC(C(C)C)CN1C(C)C
InChIInChI=1S/C13H27NS/c1-10(2)12-6-7-13(9-15-5)14(8-12)11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyGHJLQYVDZNTGTB-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine?
The IUPAC name of 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine (CID 58778874) is 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine is CSCC1CCC(C(C)C)CN1C(C)C.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine?
The InChIKey is GHJLQYVDZNTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-10(2)12-6-7-13(9-15-5)14(8-12)11(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine?
2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine has a molecular weight of 229.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)piperidine is sourced from PubChem (CID 58778874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).