2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine

C14H27NS — CID 117271476

IUPAC2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
SMILESCC(C)C1(CCC2CCCSC2)CCCN1
InChIInChI=1S/C14H27NS/c1-12(2)14(7-4-9-15-14)8-6-13-5-3-10-16-11-13/h12-13,15H,3-11H2,1-2H3
InChIKeyLQONNPPBRJJFQJ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds4

About 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine

2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine (PubChem CID 117271476) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
PubChem CID117271476
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
SMILESCC(C)C1(CCC2CCCSC2)CCCN1
InChIInChI=1S/C14H27NS/c1-12(2)14(7-4-9-15-14)8-6-13-5-3-10-16-11-13/h12-13,15H,3-11H2,1-2H3
InChIKeyLQONNPPBRJJFQJ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxan-3-yl)ethyl]-2-propan-2-ylpiperidine
CID 117271658
1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
CID 117271670
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
2-propan-2-yl-2-(2-pyrrolidin-2-ylethyl)piperidine
CID 117271627
2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
1-ethyl-2-[2-(2-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271466
2-methyl-2-(thiolan-3-ylmethyl)pyrrolidine
CID 117270942
2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
CID 117271050
2-propan-2-yl-2-[2-(1-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271634
1-methyl-2-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
CID 117271649
(2-propan-2-ylpyrrolidin-2-yl)methanol
CID 84648893
2-pentyl-2-propan-2-ylazepane
CID 79119110

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine?
The IUPAC name of 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine (CID 117271476) is 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine is CC(C)C1(CCC2CCCSC2)CCCN1.
What is the InChIKey of 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine?
The InChIKey is LQONNPPBRJJFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-12(2)14(7-4-9-15-14)8-6-13-5-3-10-16-11-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine?
2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 4 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-[2-(thian-3-yl)ethyl]pyrrolidine is sourced from PubChem (CID 117271476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).