1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide

C9H16N2O3S — CID 90513335

IUPAC1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H16N2O3S/c1-2-10-9(12)7-5-11(6-7)15(13,14)8-3-4-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyJIGVZHUVMAISAE-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.45
Rot. Bonds4

About 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide

1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide (PubChem CID 90513335) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide
PubChem CID90513335
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H16N2O3S/c1-2-10-9(12)7-5-11(6-7)15(13,14)8-3-4-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyJIGVZHUVMAISAE-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide (CID 90513335) is 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide?
The InChIKey is JIGVZHUVMAISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-10-9(12)7-5-11(6-7)15(13,14)8-3-4-8/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 90513335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).