1-cyclobutylsulfonyl-3-propan-2-ylazetidine

C10H19NO2S — CID 118444427

IUPAC1-cyclobutylsulfonyl-3-propan-2-ylazetidine
SMILESCC(C)C1CN(S(=O)(=O)C2CCC2)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)9-6-11(7-9)14(12,13)10-4-3-5-10/h8-10H,3-7H2,1-2H3
InChIKeyYFFKYSMZYRNTFY-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.46
Rot. Bonds3

About 1-cyclobutylsulfonyl-3-propan-2-ylazetidine

1-cyclobutylsulfonyl-3-propan-2-ylazetidine (PubChem CID 118444427) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-cyclobutylsulfonyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-cyclobutylsulfonyl-3-propan-2-ylazetidine
PubChem CID118444427
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-cyclobutylsulfonyl-3-propan-2-ylazetidine
SMILESCC(C)C1CN(S(=O)(=O)C2CCC2)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)9-6-11(7-9)14(12,13)10-4-3-5-10/h8-10H,3-7H2,1-2H3
InChIKeyYFFKYSMZYRNTFY-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfonyl-3-propan-2-ylazetidine?
The IUPAC name of 1-cyclobutylsulfonyl-3-propan-2-ylazetidine (CID 118444427) is 1-cyclobutylsulfonyl-3-propan-2-ylazetidine.
What is the SMILES notation for 1-cyclobutylsulfonyl-3-propan-2-ylazetidine?
The canonical SMILES for 1-cyclobutylsulfonyl-3-propan-2-ylazetidine is CC(C)C1CN(S(=O)(=O)C2CCC2)C1.
What is the InChIKey of 1-cyclobutylsulfonyl-3-propan-2-ylazetidine?
The InChIKey is YFFKYSMZYRNTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)9-6-11(7-9)14(12,13)10-4-3-5-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutylsulfonyl-3-propan-2-ylazetidine?
1-cyclobutylsulfonyl-3-propan-2-ylazetidine has a molecular weight of 217.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfonyl-3-propan-2-ylazetidine is sourced from PubChem (CID 118444427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).