3-ethyl-1-propan-2-ylsulfonylazetidine

C8H17NO2S — CID 59266024

IUPAC3-ethyl-1-propan-2-ylsulfonylazetidine
SMILESCCC1CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C8H17NO2S/c1-4-8-5-9(6-8)12(10,11)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyDVSCNEFSFSZGOP-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds3

About 3-ethyl-1-propan-2-ylsulfonylazetidine

3-ethyl-1-propan-2-ylsulfonylazetidine (PubChem CID 59266024) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylsulfonylazetidine
PubChem CID59266024
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-ethyl-1-propan-2-ylsulfonylazetidine
SMILESCCC1CN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C8H17NO2S/c1-4-8-5-9(6-8)12(10,11)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyDVSCNEFSFSZGOP-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-ethyl-1-propan-2-ylsulfonylazetidine (CID 59266024) is 3-ethyl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-ethyl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-ethyl-1-propan-2-ylsulfonylazetidine is CCC1CN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-propan-2-ylsulfonylazetidine?
The InChIKey is DVSCNEFSFSZGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-8-5-9(6-8)12(10,11)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-ylsulfonylazetidine?
3-ethyl-1-propan-2-ylsulfonylazetidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 59266024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).