1-(sulfinoamino)propane

C3H9NO2S — CID 18668240

IUPAC1-(sulfinoamino)propane
SMILESCCCNS(=O)O
InChIInChI=1S/C3H9NO2S/c1-2-3-4-7(5)6/h4H,2-3H2,1H3,(H,5,6)
InChIKeyJHLWBRPINAPOIM-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.12
Rot. Bonds3

About 1-(sulfinoamino)propane

1-(sulfinoamino)propane (PubChem CID 18668240) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is 1-(sulfinoamino)propane.

Molecular Properties

Compound Name1-(sulfinoamino)propane
PubChem CID18668240
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Name1-(sulfinoamino)propane
SMILESCCCNS(=O)O
InChIInChI=1S/C3H9NO2S/c1-2-3-4-7(5)6/h4H,2-3H2,1H3,(H,5,6)
InChIKeyJHLWBRPINAPOIM-UHFFFAOYSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
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 1-(sulfinoamino)propane?
The IUPAC name of 1-(sulfinoamino)propane (CID 18668240) is 1-(sulfinoamino)propane.
What is the SMILES notation for 1-(sulfinoamino)propane?
The canonical SMILES for 1-(sulfinoamino)propane is CCCNS(=O)O.
What is the InChIKey of 1-(sulfinoamino)propane?
The InChIKey is JHLWBRPINAPOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-2-3-4-7(5)6/h4H,2-3H2,1H3,(H,5,6).
What are the key properties of 1-(sulfinoamino)propane?
1-(sulfinoamino)propane has a molecular weight of 123.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinoamino)propane is sourced from PubChem (CID 18668240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).