2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane

C7H17N2O2S- — CID 90248681

IUPAC2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane
SMILESCC(C)N(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-7(2)8(3)5-6-9(4)12(10)11/h7H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyXQTFFSJPBDJTBK-UHFFFAOYSA-M
MW193.29 g/mol
LogP0.05
Rot. Bonds5

About 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane

2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane (PubChem CID 90248681) has the molecular formula C7H17N2O2S- and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane.

Molecular Properties

Compound Name2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane
PubChem CID90248681
Molecular FormulaC7H17N2O2S-
Molecular Weight193.29 g/mol
Exact Mass193.10
IUPAC Name2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane
SMILESCC(C)N(C)CCN(C)S(=O)[O-]
InChIInChI=1S/C7H18N2O2S/c1-7(2)8(3)5-6-9(4)12(10)11/h7H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyXQTFFSJPBDJTBK-UHFFFAOYSA-M
XLogP0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Isopropylpiperazine-1-sulfonamide
CID 43420291
2-[2-[Dimethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane
CID 53802507
2-[2-[Diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane
CID 54220065
1-(Dimethylamino)-2-[ethyl(sulfinato)amino]ethane
CID 57181912
4-Propan-2-ylpiperazine-1-sulfinate
CID 57185415
2-[Propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane
CID 57206058
N,N-dimethyl-4-propan-2-ylpiperazine-1-sulfonamide
CID 59826092
1-(Diethylamino)-2-[methyl(sulfinato)amino]ethane
CID 91806625
N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine
CID 123703570
N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine
CID 138745527
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]thiohydroxylamine
CID 138745550
1-[Ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane
CID 163809911

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane?
The IUPAC name of 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane (CID 90248681) is 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane.
What is the SMILES notation for 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane?
The canonical SMILES for 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane is CC(C)N(C)CCN(C)S(=O)[O-].
What is the InChIKey of 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane?
The InChIKey is XQTFFSJPBDJTBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2)8(3)5-6-9(4)12(10)11/h7H,5-6H2,1-4H3,(H,10,11)/p-1.
What are the key properties of 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane?
2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane has a molecular weight of 193.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl(sulfinato)amino]ethyl]amino]propane is sourced from PubChem (CID 90248681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).