1-amino-2-[ethyl(sulfinato)amino]ethane

C4H11N2O2S- — CID 57281727

IUPAC1-amino-2-[ethyl(sulfinato)amino]ethane
SMILESCCN(CCN)S(=O)[O-]
InChIInChI=1S/C4H12N2O2S/c1-2-6(4-3-5)9(7)8/h2-5H2,1H3,(H,7,8)/p-1
InChIKeyKNEDDPAMOVCXRU-UHFFFAOYSA-M
MW151.21 g/mol
LogP-0.94
Rot. Bonds4

About 1-amino-2-[ethyl(sulfinato)amino]ethane

1-amino-2-[ethyl(sulfinato)amino]ethane (PubChem CID 57281727) has the molecular formula C4H11N2O2S- and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-amino-2-[ethyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-amino-2-[ethyl(sulfinato)amino]ethane
PubChem CID57281727
Molecular FormulaC4H11N2O2S-
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name1-amino-2-[ethyl(sulfinato)amino]ethane
SMILESCCN(CCN)S(=O)[O-]
InChIInChI=1S/C4H12N2O2S/c1-2-6(4-3-5)9(7)8/h2-5H2,1H3,(H,7,8)/p-1
InChIKeyKNEDDPAMOVCXRU-UHFFFAOYSA-M
XLogP-0.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
N'-(2-(dimethylamino)ethyl)-N,N-dimethylsulfamide
CID 425313
[(2-Aminoethyl)sulfamoyl]dimethylamine hydrochloride
CID 14010266
N'-(2-aminoethyl)-N,N-dimethylsulfamide
CID 14010265
1-(Dimethylamino)-2-(sulfinatoamino)ethane
CID 57157022
Diethylammonium sulfamate
CID 134716121
Dimethyl n-ethylsulfamide
CID 4635397
Diethyl n-methylsulfamide
CID 12699427
2-Aminoethyl(ethyl)sulfamic acid
CID 18358423
Piperazine n-methylsulfonamide
CID 18411420
(2-Dimethylaminoethyl)sulfamoyl chloride
CID 19361100
1-Amino-2-[2-(sulfinatoamino)ethylamino]ethane
CID 20270557

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[ethyl(sulfinato)amino]ethane?
The IUPAC name of 1-amino-2-[ethyl(sulfinato)amino]ethane (CID 57281727) is 1-amino-2-[ethyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-amino-2-[ethyl(sulfinato)amino]ethane?
The canonical SMILES for 1-amino-2-[ethyl(sulfinato)amino]ethane is CCN(CCN)S(=O)[O-].
What is the InChIKey of 1-amino-2-[ethyl(sulfinato)amino]ethane?
The InChIKey is KNEDDPAMOVCXRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N2O2S/c1-2-6(4-3-5)9(7)8/h2-5H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-amino-2-[ethyl(sulfinato)amino]ethane?
1-amino-2-[ethyl(sulfinato)amino]ethane has a molecular weight of 151.21 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[ethyl(sulfinato)amino]ethane is sourced from PubChem (CID 57281727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).