2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide

C9H17N3O4S — CID 81198095

IUPAC2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)S(=O)(=O)CC1CNC1
InChIInChI=1S/C9H17N3O4S/c1-6(8(13)12-9(14)10-2)17(15,16)5-7-3-11-4-7/h6-7,11H,3-5H2,1-2H3,(H2,10,12,13,14)
InChIKeyWWHMAOQUEIUPMZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.54
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide

2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide (PubChem CID 81198095) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide
PubChem CID81198095
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)S(=O)(=O)CC1CNC1
InChIInChI=1S/C9H17N3O4S/c1-6(8(13)12-9(14)10-2)17(15,16)5-7-3-11-4-7/h6-7,11H,3-5H2,1-2H3,(H2,10,12,13,14)
InChIKeyWWHMAOQUEIUPMZ-UHFFFAOYSA-N
XLogP-1.54
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide (CID 81198095) is 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)S(=O)(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide?
The InChIKey is WWHMAOQUEIUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-6(8(13)12-9(14)10-2)17(15,16)5-7-3-11-4-7/h6-7,11H,3-5H2,1-2H3,(H2,10,12,13,14).
What are the key properties of 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide?
2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide has a molecular weight of 263.32 g/mol, XLogP of -1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfonyl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 81198095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).