2-methyl-2-(thiolan-2-yl)pyrrolidine

C9H17NS — CID 105434982

IUPAC2-methyl-2-(thiolan-2-yl)pyrrolidine
SMILESCC1(C2CCCS2)CCCN1
InChIInChI=1S/C9H17NS/c1-9(5-3-6-10-9)8-4-2-7-11-8/h8,10H,2-7H2,1H3
InChIKeyPKTQPISHHDXFTR-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.02
Rot. Bonds1

About 2-methyl-2-(thiolan-2-yl)pyrrolidine

2-methyl-2-(thiolan-2-yl)pyrrolidine (PubChem CID 105434982) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-2-(thiolan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(thiolan-2-yl)pyrrolidine
PubChem CID105434982
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-2-(thiolan-2-yl)pyrrolidine
SMILESCC1(C2CCCS2)CCCN1
InChIInChI=1S/C9H17NS/c1-9(5-3-6-10-9)8-4-2-7-11-8/h8,10H,2-7H2,1H3
InChIKeyPKTQPISHHDXFTR-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-ethyl-2-(thiolan-2-yl)pyrrolidine
CID 117270993
2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine
CID 91145932
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
CID 117271997
(4aS,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline
CID 71374246
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
CID 154808050
methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838382
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
1-ethyl-2-(2-methylpyrrolidin-2-yl)piperidine
CID 117271019
2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
CID 117271620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiolan-2-yl)pyrrolidine?
The IUPAC name of 2-methyl-2-(thiolan-2-yl)pyrrolidine (CID 105434982) is 2-methyl-2-(thiolan-2-yl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(thiolan-2-yl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(thiolan-2-yl)pyrrolidine is CC1(C2CCCS2)CCCN1.
What is the InChIKey of 2-methyl-2-(thiolan-2-yl)pyrrolidine?
The InChIKey is PKTQPISHHDXFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(5-3-6-10-9)8-4-2-7-11-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-2-(thiolan-2-yl)pyrrolidine?
2-methyl-2-(thiolan-2-yl)pyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiolan-2-yl)pyrrolidine is sourced from PubChem (CID 105434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).