2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine

C13H23NO3S — CID 155937571

IUPAC2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine
SMILESCC1(CS(=O)(=O)N2CCCC2C2CCC2)COC1
InChIInChI=1S/C13H23NO3S/c1-13(8-17-9-13)10-18(15,16)14-7-3-6-12(14)11-4-2-5-11/h11-12H,2-10H2,1H3
InChIKeyYLQWQDZJDBKVEH-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.62
Rot. Bonds4

About 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine

2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine (PubChem CID 155937571) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine
PubChem CID155937571
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine
SMILESCC1(CS(=O)(=O)N2CCCC2C2CCC2)COC1
InChIInChI=1S/C13H23NO3S/c1-13(8-17-9-13)10-18(15,16)14-7-3-6-12(14)11-4-2-5-11/h11-12H,2-10H2,1H3
InChIKeyYLQWQDZJDBKVEH-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
2-cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-N-methylethanamine
CID 54974113
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)propanoic acid
CID 65319025
2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
CID 167914484
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)ethoxy]ethanamine
CID 112751596
1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine
CID 79585341
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine?
The IUPAC name of 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine (CID 155937571) is 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine is CC1(CS(=O)(=O)N2CCCC2C2CCC2)COC1.
What is the InChIKey of 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine?
The InChIKey is YLQWQDZJDBKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-13(8-17-9-13)10-18(15,16)14-7-3-6-12(14)11-4-2-5-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine?
2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine has a molecular weight of 273.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 155937571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).