1-cyclopropylsulfonylazetidine-3-carboxamide

C7H12N2O3S — CID 71785600

IUPAC1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C7H12N2O3S/c8-7(10)5-3-9(4-5)13(11,12)6-1-2-6/h5-6H,1-4H2,(H2,8,10)
InChIKeyCHQJJMCQNMLRST-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.10
Rot. Bonds3

About 1-cyclopropylsulfonylazetidine-3-carboxamide

1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 71785600) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID71785600
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C7H12N2O3S/c8-7(10)5-3-9(4-5)13(11,12)6-1-2-6/h5-6H,1-4H2,(H2,8,10)
InChIKeyCHQJJMCQNMLRST-UHFFFAOYSA-N
XLogP-1.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonylazetidine-3-carboxamide (CID 71785600) is 1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonylazetidine-3-carboxamide is NC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is CHQJJMCQNMLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c8-7(10)5-3-9(4-5)13(11,12)6-1-2-6/h5-6H,1-4H2,(H2,8,10).
What are the key properties of 1-cyclopropylsulfonylazetidine-3-carboxamide?
1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 204.25 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).