2-methyl-2-(thian-4-ylmethyl)pyrrolidine

C11H21NS — CID 117270960

IUPAC2-methyl-2-(thian-4-ylmethyl)pyrrolidine
SMILESCC1(CC2CCSCC2)CCCN1
InChIInChI=1S/C11H21NS/c1-11(5-2-6-12-11)9-10-3-7-13-8-4-10/h10,12H,2-9H2,1H3
InChIKeyMZWGNTFEYFQGOB-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-2-(thian-4-ylmethyl)pyrrolidine

2-methyl-2-(thian-4-ylmethyl)pyrrolidine (PubChem CID 117270960) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-2-(thian-4-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(thian-4-ylmethyl)pyrrolidine
PubChem CID117270960
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-2-(thian-4-ylmethyl)pyrrolidine
SMILESCC1(CC2CCSCC2)CCCN1
InChIInChI=1S/C11H21NS/c1-11(5-2-6-12-11)9-10-3-7-13-8-4-10/h10,12H,2-9H2,1H3
InChIKeyMZWGNTFEYFQGOB-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(thiolan-3-ylmethyl)pyrrolidine
CID 117270942
2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine
CID 104688162
1-ethyl-3-[(2-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 117270951
1-ethyl-4-[(2-methylpiperidin-2-yl)methyl]piperidine
CID 117271188
(2S)-2-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 69341147
[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyrrolidine
CID 64597347
2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107295961
2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
CID 117271620
N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
1-methyl-3-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thian-4-ylmethyl)pyrrolidine?
The IUPAC name of 2-methyl-2-(thian-4-ylmethyl)pyrrolidine (CID 117270960) is 2-methyl-2-(thian-4-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(thian-4-ylmethyl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(thian-4-ylmethyl)pyrrolidine is CC1(CC2CCSCC2)CCCN1.
What is the InChIKey of 2-methyl-2-(thian-4-ylmethyl)pyrrolidine?
The InChIKey is MZWGNTFEYFQGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-11(5-2-6-12-11)9-10-3-7-13-8-4-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-methyl-2-(thian-4-ylmethyl)pyrrolidine?
2-methyl-2-(thian-4-ylmethyl)pyrrolidine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thian-4-ylmethyl)pyrrolidine is sourced from PubChem (CID 117270960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).