1-(sulfinatoamino)propane

C3H8NO2S- — CID 19067788

IUPAC1-(sulfinatoamino)propane
SMILESCCCNS(=O)[O-]
InChIInChI=1S/C3H9NO2S/c1-2-3-4-7(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyJHLWBRPINAPOIM-UHFFFAOYSA-M
MW122.17 g/mol
LogP-0.22
Rot. Bonds3

About 1-(sulfinatoamino)propane

1-(sulfinatoamino)propane (PubChem CID 19067788) has the molecular formula C3H8NO2S- and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-(sulfinatoamino)propane
PubChem CID19067788
Molecular FormulaC3H8NO2S-
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name1-(sulfinatoamino)propane
SMILESCCCNS(=O)[O-]
InChIInChI=1S/C3H9NO2S/c1-2-3-4-7(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyJHLWBRPINAPOIM-UHFFFAOYSA-M
XLogP-0.22
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propylsulfamoyl chloride
CID 13398949
n-Propylsulfamide
CID 13949558
(Ethylsulfamoyl)amine
CID 21263690
n-propylsulfamide sodium salt
CID 127255792
Propylsulfamic acid
CID 14979915
n-Ethylsulfonamide
CID 19013208
N-isopropylsulfonamide
CID 21260271
potassium (N-propylsulfamoyl)amide
CID 86276534
N-Propylsulfamoyl fluoride
CID 53931242
N-Ethyl-N'-methylsulfuric diamide
CID 14415698
N-(methylsulfamoyl)propan-1-amine
CID 22273146
N-ethylsulfamate
CID 4440819

Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)propane?
The IUPAC name of 1-(sulfinatoamino)propane (CID 19067788) is 1-(sulfinatoamino)propane.
What is the SMILES notation for 1-(sulfinatoamino)propane?
The canonical SMILES for 1-(sulfinatoamino)propane is CCCNS(=O)[O-].
What is the InChIKey of 1-(sulfinatoamino)propane?
The InChIKey is JHLWBRPINAPOIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO2S/c1-2-3-4-7(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1.
What are the key properties of 1-(sulfinatoamino)propane?
1-(sulfinatoamino)propane has a molecular weight of 122.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)propane is sourced from PubChem (CID 19067788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).