1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane

C6H13N2O3S- — CID 175267118

IUPAC1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane
SMILESCC(CCN(C)S(=O)[O-])C(N)=O
InChIInChI=1S/C6H14N2O3S/c1-5(6(7)9)3-4-8(2)12(10)11/h5H,3-4H2,1-2H3,(H2,7,9)(H,10,11)/p-1
InChIKeyAFCSSBZGGHPWHN-UHFFFAOYSA-M
MW193.25 g/mol
LogP-0.78
Rot. Bonds5

About 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane

1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane (PubChem CID 175267118) has the molecular formula C6H13N2O3S- and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane.

Molecular Properties

Compound Name1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane
PubChem CID175267118
Molecular FormulaC6H13N2O3S-
Molecular Weight193.25 g/mol
Exact Mass193.07
IUPAC Name1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane
SMILESCC(CCN(C)S(=O)[O-])C(N)=O
InChIInChI=1S/C6H14N2O3S/c1-5(6(7)9)3-4-8(2)12(10)11/h5H,3-4H2,1-2H3,(H2,7,9)(H,10,11)/p-1
InChIKeyAFCSSBZGGHPWHN-UHFFFAOYSA-M
XLogP-0.78
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.78
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

4-(Dimethylamino)-3-methylbutanamide
CID 13345063
4-(Dimethylamino)-2-methylbutanamide
CID 17808330
N-(dimethylsulfamoyl)-3-methylbutanamide
CID 47363110
1-Amino-2-methyl-1-oxo-4-(sulfinatoamino)butane
CID 57075151
2-Methyl-4-(methylamino)butanamide
CID 84074716
N-[methyl(3-methylbutyl)sulfamoyl]acetamide
CID 174340976
1-Amino-2-methyl-1-oxo-4-(sulfinoamino)butane
CID 57075152
N-(diethylsulfamoyl)-2-methylbutanamide
CID 60298457
3-Methyl-4-(methylamino)butanamide
CID 148642060
1-Amino-2-methyl-4-[methyl(sulfino)amino]-1-oxobutane
CID 175267119
3-Methyl-4-(sulfidoamino)butanamide
CID 176553092
3-Methyl-4-(sulfanylamino)butanamide
CID 176553094

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane?
The IUPAC name of 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane (CID 175267118) is 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane.
What is the SMILES notation for 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane?
The canonical SMILES for 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane is CC(CCN(C)S(=O)[O-])C(N)=O.
What is the InChIKey of 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane?
The InChIKey is AFCSSBZGGHPWHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O3S/c1-5(6(7)9)3-4-8(2)12(10)11/h5H,3-4H2,1-2H3,(H2,7,9)(H,10,11)/p-1.
What are the key properties of 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane?
1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane has a molecular weight of 193.25 g/mol, XLogP of -0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane is sourced from PubChem (CID 175267118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).