1-(dimethylamino)-3-(sulfinatoamino)propane

C5H13N2O2S- — CID 57044432

IUPAC1-(dimethylamino)-3-(sulfinatoamino)propane
SMILESCN(C)CCCNS(=O)[O-]
InChIInChI=1S/C5H14N2O2S/c1-7(2)5-3-4-6-10(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyMOGKPELBODNPKT-UHFFFAOYSA-M
MW165.24 g/mol
LogP-0.68
Rot. Bonds5

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

1-(dimethylamino)-3-(sulfinatoamino)propane (PubChem CID 57044432) has the molecular formula C5H13N2O2S- and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-(dimethylamino)-3-(sulfinatoamino)propane
PubChem CID57044432
Molecular FormulaC5H13N2O2S-
Molecular Weight165.24 g/mol
Exact Mass165.07
IUPAC Name1-(dimethylamino)-3-(sulfinatoamino)propane
SMILESCN(C)CCCNS(=O)[O-]
InChIInChI=1S/C5H14N2O2S/c1-7(2)5-3-4-6-10(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyMOGKPELBODNPKT-UHFFFAOYSA-M
XLogP-0.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.68
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 130266408
CID 130266408
CID 130266530
CID 130266530
CID 145796876
CID 145796876
CID 3519490
CID 3519490
CID 4474211
CID 4474211
CID 22328326
CID 22328326
CID 43602858
CID 43602858
CID 57058681
CID 57058681
CID 57157452
CID 57157452
CID 57200546
CID 57200546
CID 57217736
CID 57217736

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(sulfinatoamino)propane?
The IUPAC name of 1-(dimethylamino)-3-(sulfinatoamino)propane (CID 57044432) is 1-(dimethylamino)-3-(sulfinatoamino)propane.
What is the SMILES notation for 1-(dimethylamino)-3-(sulfinatoamino)propane?
The canonical SMILES for 1-(dimethylamino)-3-(sulfinatoamino)propane is CN(C)CCCNS(=O)[O-].
What is the InChIKey of 1-(dimethylamino)-3-(sulfinatoamino)propane?
The InChIKey is MOGKPELBODNPKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N2O2S/c1-7(2)5-3-4-6-10(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 1-(dimethylamino)-3-(sulfinatoamino)propane?
1-(dimethylamino)-3-(sulfinatoamino)propane has a molecular weight of 165.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(sulfinatoamino)propane is sourced from PubChem (CID 57044432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).