2-methyl-2-(thian-2-yl)piperidine

C11H21NS — CID 117271242

IUPAC2-methyl-2-(thian-2-yl)piperidine
SMILESCC1(C2CCCCS2)CCCCN1
InChIInChI=1S/C11H21NS/c1-11(7-3-4-8-12-11)10-6-2-5-9-13-10/h10,12H,2-9H2,1H3
InChIKeyJBTYACLFIXEMHK-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.80
Rot. Bonds1

About 2-methyl-2-(thian-2-yl)piperidine

2-methyl-2-(thian-2-yl)piperidine (PubChem CID 117271242) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-2-(thian-2-yl)piperidine.

Molecular Properties

Compound Name2-methyl-2-(thian-2-yl)piperidine
PubChem CID117271242
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-2-(thian-2-yl)piperidine
SMILESCC1(C2CCCCS2)CCCCN1
InChIInChI=1S/C11H21NS/c1-11(7-3-4-8-12-11)10-6-2-5-9-13-10/h10,12H,2-9H2,1H3
InChIKeyJBTYACLFIXEMHK-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thian-2-yl)piperidine?
The IUPAC name of 2-methyl-2-(thian-2-yl)piperidine (CID 117271242) is 2-methyl-2-(thian-2-yl)piperidine.
What is the SMILES notation for 2-methyl-2-(thian-2-yl)piperidine?
The canonical SMILES for 2-methyl-2-(thian-2-yl)piperidine is CC1(C2CCCCS2)CCCCN1.
What is the InChIKey of 2-methyl-2-(thian-2-yl)piperidine?
The InChIKey is JBTYACLFIXEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-11(7-3-4-8-12-11)10-6-2-5-9-13-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-methyl-2-(thian-2-yl)piperidine?
2-methyl-2-(thian-2-yl)piperidine has a molecular weight of 199.36 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thian-2-yl)piperidine is sourced from PubChem (CID 117271242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).