(2R)-1-methyl-2-(sulfinoamino)cyclopropane

C4H9NO2S — CID 89197525

IUPAC(2R)-1-methyl-2-(sulfinoamino)cyclopropane
SMILESCC1C[C@H]1NS(=O)O
InChIInChI=1S/C4H9NO2S/c1-3-2-4(3)5-8(6)7/h3-5H,2H2,1H3,(H,6,7)/t3?,4-/m1/s1
InChIKeyPYXFMDQJSDBJGK-SRBOSORUSA-N
MW135.19 g/mol
LogP0.12
Rot. Bonds2

About (2R)-1-methyl-2-(sulfinoamino)cyclopropane

(2R)-1-methyl-2-(sulfinoamino)cyclopropane (PubChem CID 89197525) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (2R)-1-methyl-2-(sulfinoamino)cyclopropane.

Molecular Properties

Compound Name(2R)-1-methyl-2-(sulfinoamino)cyclopropane
PubChem CID89197525
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(2R)-1-methyl-2-(sulfinoamino)cyclopropane
SMILESCC1C[C@H]1NS(=O)O
InChIInChI=1S/C4H9NO2S/c1-3-2-4(3)5-8(6)7/h3-5H,2H2,1H3,(H,6,7)/t3?,4-/m1/s1
InChIKeyPYXFMDQJSDBJGK-SRBOSORUSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-(sulfinoamino)cyclopropane?
The IUPAC name of (2R)-1-methyl-2-(sulfinoamino)cyclopropane (CID 89197525) is (2R)-1-methyl-2-(sulfinoamino)cyclopropane.
What is the SMILES notation for (2R)-1-methyl-2-(sulfinoamino)cyclopropane?
The canonical SMILES for (2R)-1-methyl-2-(sulfinoamino)cyclopropane is CC1C[C@H]1NS(=O)O.
What is the InChIKey of (2R)-1-methyl-2-(sulfinoamino)cyclopropane?
The InChIKey is PYXFMDQJSDBJGK-SRBOSORUSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3-2-4(3)5-8(6)7/h3-5H,2H2,1H3,(H,6,7)/t3?,4-/m1/s1.
What are the key properties of (2R)-1-methyl-2-(sulfinoamino)cyclopropane?
(2R)-1-methyl-2-(sulfinoamino)cyclopropane has a molecular weight of 135.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-(sulfinoamino)cyclopropane is sourced from PubChem (CID 89197525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).