2-(1-sulfinamoylcyclopropyl)acetic acid

C5H9NO3S — CID 143564132

IUPAC2-(1-sulfinamoylcyclopropyl)acetic acid
SMILESNS(=O)C1(CC(=O)O)CC1
InChIInChI=1S/C5H9NO3S/c6-10(9)5(1-2-5)3-4(7)8/h1-3,6H2,(H,7,8)
InChIKeyFFPSSOXUBMJLBZ-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.38
Rot. Bonds3

About 2-(1-sulfinamoylcyclopropyl)acetic acid

2-(1-sulfinamoylcyclopropyl)acetic acid (PubChem CID 143564132) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-(1-sulfinamoylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-sulfinamoylcyclopropyl)acetic acid
PubChem CID143564132
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name2-(1-sulfinamoylcyclopropyl)acetic acid
SMILESNS(=O)C1(CC(=O)O)CC1
InChIInChI=1S/C5H9NO3S/c6-10(9)5(1-2-5)3-4(7)8/h1-3,6H2,(H,7,8)
InChIKeyFFPSSOXUBMJLBZ-UHFFFAOYSA-N
XLogP-0.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-sulfinamoylcyclopropyl)acetic acid?
The IUPAC name of 2-(1-sulfinamoylcyclopropyl)acetic acid (CID 143564132) is 2-(1-sulfinamoylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-sulfinamoylcyclopropyl)acetic acid?
The canonical SMILES for 2-(1-sulfinamoylcyclopropyl)acetic acid is NS(=O)C1(CC(=O)O)CC1.
What is the InChIKey of 2-(1-sulfinamoylcyclopropyl)acetic acid?
The InChIKey is FFPSSOXUBMJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c6-10(9)5(1-2-5)3-4(7)8/h1-3,6H2,(H,7,8).
What are the key properties of 2-(1-sulfinamoylcyclopropyl)acetic acid?
2-(1-sulfinamoylcyclopropyl)acetic acid has a molecular weight of 163.20 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfinamoylcyclopropyl)acetic acid is sourced from PubChem (CID 143564132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).