1-(diethylamino)-3-(sulfinatoamino)propane

C7H17N2O2S- — CID 57200546

IUPAC1-(diethylamino)-3-(sulfinatoamino)propane
SMILESCCN(CC)CCCNS(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-3-9(4-2)7-5-6-8-12(10)11/h8H,3-7H2,1-2H3,(H,10,11)/p-1
InChIKeyQKHFEOXQVOVSOT-UHFFFAOYSA-M
MW193.29 g/mol
LogP0.10
Rot. Bonds7

About 1-(diethylamino)-3-(sulfinatoamino)propane

1-(diethylamino)-3-(sulfinatoamino)propane (PubChem CID 57200546) has the molecular formula C7H17N2O2S- and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(diethylamino)-3-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-(diethylamino)-3-(sulfinatoamino)propane
PubChem CID57200546
Molecular FormulaC7H17N2O2S-
Molecular Weight193.29 g/mol
Exact Mass193.10
IUPAC Name1-(diethylamino)-3-(sulfinatoamino)propane
SMILESCCN(CC)CCCNS(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-3-9(4-2)7-5-6-8-12(10)11/h8H,3-7H2,1-2H3,(H,10,11)/p-1
InChIKeyQKHFEOXQVOVSOT-UHFFFAOYSA-M
XLogP0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 53316867
CID 53316867
CID 53320822
CID 53320822
CID 130266408
CID 130266408
CID 145796876
CID 145796876
CID 3519490
CID 3519490
CID 22273216
CID 22273216
CID 22328326
CID 22328326
CID 43247503
CID 43247503
CID 43602858
CID 43602858
CID 56999194
CID 56999194
CID 57044432
CID 57044432
CID 57058681
CID 57058681

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(sulfinatoamino)propane?
The IUPAC name of 1-(diethylamino)-3-(sulfinatoamino)propane (CID 57200546) is 1-(diethylamino)-3-(sulfinatoamino)propane.
What is the SMILES notation for 1-(diethylamino)-3-(sulfinatoamino)propane?
The canonical SMILES for 1-(diethylamino)-3-(sulfinatoamino)propane is CCN(CC)CCCNS(=O)[O-].
What is the InChIKey of 1-(diethylamino)-3-(sulfinatoamino)propane?
The InChIKey is QKHFEOXQVOVSOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N2O2S/c1-3-9(4-2)7-5-6-8-12(10)11/h8H,3-7H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 1-(diethylamino)-3-(sulfinatoamino)propane?
1-(diethylamino)-3-(sulfinatoamino)propane has a molecular weight of 193.29 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(sulfinatoamino)propane is sourced from PubChem (CID 57200546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).