3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide

C13H21N5O3S — CID 75476054

IUPAC3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C13H21N5O3S/c1-17-7-6-12(15-17)14-13(19)18-8-11(9-18)22(20,21)16-10-4-2-3-5-10/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,14,15,19)
InChIKeyFQESONWAEGYCHA-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.50
Rot. Bonds4

About 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide

3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide (PubChem CID 75476054) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
PubChem CID75476054
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C13H21N5O3S/c1-17-7-6-12(15-17)14-13(19)18-8-11(9-18)22(20,21)16-10-4-2-3-5-10/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,14,15,19)
InChIKeyFQESONWAEGYCHA-UHFFFAOYSA-N
XLogP0.50
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide (CID 75476054) is 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide is Cn1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The InChIKey is FQESONWAEGYCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-17-7-6-12(15-17)14-13(19)18-8-11(9-18)22(20,21)16-10-4-2-3-5-10/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,14,15,19).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 75476054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).