3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine

C13H27NO3S — CID 162081963

IUPAC3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)C1COC1.CC(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15NO2S.C6H12O/c1-7(2)11(9,10)8-5-3-4-6-8;1-5(2)6-3-7-4-6/h7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyZCLPFOFVJJANEV-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.11
Rot. Bonds3

About 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine

3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine (PubChem CID 162081963) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine
PubChem CID162081963
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)C1COC1.CC(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15NO2S.C6H12O/c1-7(2)11(9,10)8-5-3-4-6-8;1-5(2)6-3-7-4-6/h7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyZCLPFOFVJJANEV-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-propan-2-ylsulfonyl-2-[2-[3-(2-pyrrolidin-1-ylsulfonylpropyl)piperidin-1-yl]sulfonylpropyl]morpholine
CID 138659083
1-(cyclopropylmethyl)-4-propan-2-ylsulfonyl-1,4-diazepane
CID 95751499
1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
CID 121165139
3-ethyl-1-propan-2-ylsulfonylpiperidine
CID 59266027
1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine
CID 159394206
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
3-methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
2-methyl-4-propan-2-ylsulfonylmorpholine
CID 61355181
1-(difluoromethylsulfonyl)pyrrolidine
CID 58435998

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine (CID 162081963) is 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine is CC(C)C1COC1.CC(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is ZCLPFOFVJJANEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C6H12O/c1-7(2)11(9,10)8-5-3-4-6-8;1-5(2)6-3-7-4-6/h7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine?
3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 277.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 162081963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).