1-(diethylamino)-2-(sulfinatoamino)ethane

C6H15N2O2S- — CID 57205497

IUPAC1-(diethylamino)-2-(sulfinatoamino)ethane
SMILESCCN(CC)CCNS(=O)[O-]
InChIInChI=1S/C6H16N2O2S/c1-3-8(4-2)6-5-7-11(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyHABBTCWXDRRMAN-UHFFFAOYSA-M
MW179.26 g/mol
LogP-0.29
Rot. Bonds6

About 1-(diethylamino)-2-(sulfinatoamino)ethane

1-(diethylamino)-2-(sulfinatoamino)ethane (PubChem CID 57205497) has the molecular formula C6H15N2O2S- and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(diethylamino)-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-(diethylamino)-2-(sulfinatoamino)ethane
PubChem CID57205497
Molecular FormulaC6H15N2O2S-
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Name1-(diethylamino)-2-(sulfinatoamino)ethane
SMILESCCN(CC)CCNS(=O)[O-]
InChIInChI=1S/C6H16N2O2S/c1-3-8(4-2)6-5-7-11(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyHABBTCWXDRRMAN-UHFFFAOYSA-M
XLogP-0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(diethylamino)-2-(sulfinatoamino)ethane?
The IUPAC name of 1-(diethylamino)-2-(sulfinatoamino)ethane (CID 57205497) is 1-(diethylamino)-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-(diethylamino)-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-(diethylamino)-2-(sulfinatoamino)ethane is CCN(CC)CCNS(=O)[O-].
What is the InChIKey of 1-(diethylamino)-2-(sulfinatoamino)ethane?
The InChIKey is HABBTCWXDRRMAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N2O2S/c1-3-8(4-2)6-5-7-11(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 1-(diethylamino)-2-(sulfinatoamino)ethane?
1-(diethylamino)-2-(sulfinatoamino)ethane has a molecular weight of 179.26 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-2-(sulfinatoamino)ethane is sourced from PubChem (CID 57205497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).