2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide

C10H20N2O4S — CID 81196178

IUPAC2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)CC1CNC1
InChIInChI=1S/C10H20N2O4S/c1-8(5-16-2)12-10(13)7-17(14,15)6-9-3-11-4-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRLOMVIXAGCYERO-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.23
Rot. Bonds7

About 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide

2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 81196178) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID81196178
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)CC1CNC1
InChIInChI=1S/C10H20N2O4S/c1-8(5-16-2)12-10(13)7-17(14,15)6-9-3-11-4-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRLOMVIXAGCYERO-UHFFFAOYSA-N
XLogP-1.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide (CID 81196178) is 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CS(=O)(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is RLOMVIXAGCYERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(5-16-2)12-10(13)7-17(14,15)6-9-3-11-4-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of -1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 81196178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).