N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide

C8H14N2O2S — CID 84670904

IUPACN-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide
SMILESO=C(CS(=O)C1CC1)NC1CNC1
InChIInChI=1S/C8H14N2O2S/c11-8(10-6-3-9-4-6)5-13(12)7-1-2-7/h6-7,9H,1-5H2,(H,10,11)
InChIKeyJOKXVYCLJYNIJZ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-1.01
Rot. Bonds4

About N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide

N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide (PubChem CID 84670904) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide
PubChem CID84670904
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide
SMILESO=C(CS(=O)C1CC1)NC1CNC1
InChIInChI=1S/C8H14N2O2S/c11-8(10-6-3-9-4-6)5-13(12)7-1-2-7/h6-7,9H,1-5H2,(H,10,11)
InChIKeyJOKXVYCLJYNIJZ-UHFFFAOYSA-N
XLogP-1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide (CID 84670904) is N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide is O=C(CS(=O)C1CC1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide?
The InChIKey is JOKXVYCLJYNIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-8(10-6-3-9-4-6)5-13(12)7-1-2-7/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide?
N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide has a molecular weight of 202.28 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide is sourced from PubChem (CID 84670904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).