1-cyclopropylsulfonyl-3-propan-2-ylazetidine

C9H17NO2S — CID 58054362

IUPAC1-cyclopropylsulfonyl-3-propan-2-ylazetidine
SMILESCC(C)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H17NO2S/c1-7(2)8-5-10(6-8)13(11,12)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyLPENEOZMYOHARL-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.07
Rot. Bonds3

About 1-cyclopropylsulfonyl-3-propan-2-ylazetidine

1-cyclopropylsulfonyl-3-propan-2-ylazetidine (PubChem CID 58054362) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-propan-2-ylazetidine
PubChem CID58054362
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-cyclopropylsulfonyl-3-propan-2-ylazetidine
SMILESCC(C)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H17NO2S/c1-7(2)8-5-10(6-8)13(11,12)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyLPENEOZMYOHARL-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-propan-2-ylazetidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-propan-2-ylazetidine (CID 58054362) is 1-cyclopropylsulfonyl-3-propan-2-ylazetidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-propan-2-ylazetidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-propan-2-ylazetidine is CC(C)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-propan-2-ylazetidine?
The InChIKey is LPENEOZMYOHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(2)8-5-10(6-8)13(11,12)9-3-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-3-propan-2-ylazetidine?
1-cyclopropylsulfonyl-3-propan-2-ylazetidine has a molecular weight of 203.31 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 1-cyclopropylsulfonyl-3-propan-2-ylazetidine is sourced from PubChem (CID 58054362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).