2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine

C12H23NS — CID 117271620

IUPAC2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
SMILESCC1(CCC2CCCS2)CCCCN1
InChIInChI=1S/C12H23NS/c1-12(7-2-3-9-13-12)8-6-11-5-4-10-14-11/h11,13H,2-10H2,1H3
InChIKeyFBFTYLIBGFCSPP-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine

2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine (PubChem CID 117271620) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
PubChem CID117271620
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
SMILESCC1(CCC2CCCS2)CCCCN1
InChIInChI=1S/C12H23NS/c1-12(7-2-3-9-13-12)8-6-11-5-4-10-14-11/h11,13H,2-10H2,1H3
InChIKeyFBFTYLIBGFCSPP-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidine
CID 117271582
1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol
CID 115073728
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418
1-methyl-3-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271478
2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
CID 117271050
9-(thiolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 80586837
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
2-methyl-2-(thian-4-ylmethyl)pyrrolidine
CID 117270960
2-methyl-2-pent-3-ynylazepane
CID 104806626
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-(4-methoxybutyl)-2-methylpiperidine
CID 117271567
1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine
CID 117271787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine?
The IUPAC name of 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine (CID 117271620) is 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine.
What is the SMILES notation for 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine?
The canonical SMILES for 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine is CC1(CCC2CCCS2)CCCCN1.
What is the InChIKey of 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine?
The InChIKey is FBFTYLIBGFCSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-12(7-2-3-9-13-12)8-6-11-5-4-10-14-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine?
2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine has a molecular weight of 213.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine is sourced from PubChem (CID 117271620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).