3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide

C10H18N2O3S — CID 81197953

IUPAC3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide
SMILESO=C(CCS(=O)(=O)CC1CNC1)NC1CC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-9-1-2-9)3-4-16(14,15)7-8-5-11-6-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyFSUISXMURRFMOP-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.71
Rot. Bonds6

About 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide

3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide (PubChem CID 81197953) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide
PubChem CID81197953
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide
SMILESO=C(CCS(=O)(=O)CC1CNC1)NC1CC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-9-1-2-9)3-4-16(14,15)7-8-5-11-6-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyFSUISXMURRFMOP-UHFFFAOYSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dicyclopropylbutanediamide
CID 5225156
N-(4-aminocyclohexyl)-2-(azetidin-3-yl)acetamide
CID 64612464
N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
CID 78902587
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
CID 104982434
N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 5057865
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
3-ethylsulfonyl-N-(oxan-3-yl)propanamide
CID 176706473
N-cyclopentyl-3-(dimethylsulfamoyl)propanamide
CID 110343266

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide (CID 81197953) is 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide is O=C(CCS(=O)(=O)CC1CNC1)NC1CC1.
What is the InChIKey of 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide?
The InChIKey is FSUISXMURRFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(12-9-1-2-9)3-4-16(14,15)7-8-5-11-6-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide?
3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide has a molecular weight of 246.33 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethylsulfonyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 81197953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).