2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine

C13H25NS — CID 117271050

IUPAC2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
SMILESCC(C)C1(CC2CCCCS2)CCCN1
InChIInChI=1S/C13H25NS/c1-11(2)13(7-5-8-14-13)10-12-6-3-4-9-15-12/h11-12,14H,3-10H2,1-2H3
InChIKeyPDVQTMLYVVUJBW-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds3

About 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine

2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine (PubChem CID 117271050) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
PubChem CID117271050
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
SMILESCC(C)C1(CC2CCCCS2)CCCN1
InChIInChI=1S/C13H25NS/c1-11(2)13(7-5-8-14-13)10-12-6-3-4-9-15-12/h11-12,14H,3-10H2,1-2H3
InChIKeyPDVQTMLYVVUJBW-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-2-(thian-2-ylmethyl)pyrrolidine
CID 117271873
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117227333
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227468
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
(2-propan-2-ylpyrrolidin-2-yl)methanol
CID 84648893
2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
CID 117271476
1-ethyl-2-[2-(2-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271466
2-(oxolan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271154
1-(thian-2-ylmethyl)cyclohexan-1-ol
CID 115073797
N,N-dimethyl-1-(2-propan-2-ylpyrrolidin-2-yl)methanamine
CID 117271095
2-(oxan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271301
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine (CID 117271050) is 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine is CC(C)C1(CC2CCCCS2)CCCN1.
What is the InChIKey of 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine?
The InChIKey is PDVQTMLYVVUJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-11(2)13(7-5-8-14-13)10-12-6-3-4-9-15-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine?
2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 117271050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).