N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide

C9H16N2O4S — CID 176706707

IUPACN-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide
SMILESCC(=O)N1CC(NC(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C9H16N2O4S/c1-7(12)11-5-8(6-11)10-9(13)3-4-16(2,14)15/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyWTCCVEZCAICFAG-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.23
Rot. Bonds4

About N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide

N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide (PubChem CID 176706707) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide
PubChem CID176706707
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide
SMILESCC(=O)N1CC(NC(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C9H16N2O4S/c1-7(12)11-5-8(6-11)10-9(13)3-4-16(2,14)15/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyWTCCVEZCAICFAG-UHFFFAOYSA-N
XLogP-1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide 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

(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide
CID 164634983
3-[3-(2-Acetamidoethylamino)-2-amino-3-oxopropyl]sulfanylpropane-1-sulfonic acid
CID 54317523
N-[1-(3-methylazetidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 57806642
N-(2-aminoethyl)-3-tert-butylsulfonylpropanamide
CID 59159519
3-(2-methylsulfonylethylsulfanyl)-N-propan-2-yl-2-(propan-2-ylamino)propanamide
CID 59503448
2-[(1-Propan-2-ylazetidin-3-yl)sulfamoyl]acetamide
CID 68821889
N-[2-(dimethylamino)ethyl]-4-methylsulfonylbutanamide
CID 84321223
2-acetamido-N-cyano-N-ethyl-3-methylsulfonylpropanamide
CID 87927330
2-acetamido-N-(cyanomethyl)-3-methylsulfonylpropanamide
CID 87927445
2-(methylamino)-N-(3-methylsulfinylpropyl)-4-methylsulfonylbutanamide
CID 88232360
4-Methylsulfonyl-2-(propanoylamino)butanamide
CID 90981602
N-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azetidin-3-yl]acetamide
CID 117710558

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide (CID 176706707) is N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide is CC(=O)N1CC(NC(=O)CCS(C)(=O)=O)C1.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide?
The InChIKey is WTCCVEZCAICFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7(12)11-5-8(6-11)10-9(13)3-4-16(2,14)15/h8H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide?
N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide has a molecular weight of 248.30 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 176706707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).