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

C5H13N2O2S- — CID 57199942

IUPAC1-[ethyl(sulfinato)amino]-2-(methylamino)ethane
SMILESCCN(CCNC)S(=O)[O-]
InChIInChI=1S/C5H14N2O2S/c1-3-7(10(8)9)5-4-6-2/h6H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeySIHWUOALFQZZEJ-UHFFFAOYSA-M
MW165.24 g/mol
LogP-0.68
Rot. Bonds5

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

1-[ethyl(sulfinato)amino]-2-(methylamino)ethane (PubChem CID 57199942) has the molecular formula C5H13N2O2S- and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane.

Molecular Properties

Compound Name1-[ethyl(sulfinato)amino]-2-(methylamino)ethane
PubChem CID57199942
Molecular FormulaC5H13N2O2S-
Molecular Weight165.24 g/mol
Exact Mass165.07
IUPAC Name1-[ethyl(sulfinato)amino]-2-(methylamino)ethane
SMILESCCN(CCNC)S(=O)[O-]
InChIInChI=1S/C5H14N2O2S/c1-3-7(10(8)9)5-4-6-2/h6H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeySIHWUOALFQZZEJ-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': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpiperazine-1-sulfonamide
CID 1094966
Sulfamic acid, reaction products with diethylenetriamine
CID 90659467
Sulfamic acid, reaction products with triethylenetetramine
CID 90659468
N'-(2-aminoethyl)-N,N-dimethylsulfamide
CID 14010265
N-methylpiperazine-1-sulfonamide
CID 28775620
Diketopiperazine thioester
CID 57034737
1-(Dimethylamino)-2-(sulfinatoamino)ethane
CID 57157022
Diethylammonium sulfamate
CID 134716121
N-ethylpiperazine-1-sulfonamide
CID 28775624
Diethylazanium sulfite
CID 135001964
N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114810646
N-[2-(ethylamino)ethyl]methanesulfonamide
CID 17912947

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane?
The IUPAC name of 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane (CID 57199942) is 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane.
What is the SMILES notation for 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane?
The canonical SMILES for 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane is CCN(CCNC)S(=O)[O-].
What is the InChIKey of 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane?
The InChIKey is SIHWUOALFQZZEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N2O2S/c1-3-7(10(8)9)5-4-6-2/h6H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 1-[ethyl(sulfinato)amino]-2-(methylamino)ethane?
1-[ethyl(sulfinato)amino]-2-(methylamino)ethane 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-[ethyl(sulfinato)amino]-2-(methylamino)ethane is sourced from PubChem (CID 57199942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).