1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane

C9H22N3O6S3- — CID 57049644

IUPAC1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane
SMILESCCNS(=O)(=O)CC(C)(C)NS(=O)(=O)CN(CC)S(=O)[O-]
InChIInChI=1S/C9H23N3O6S3/c1-5-10-20(15,16)7-9(3,4)11-21(17,18)8-12(6-2)19(13)14/h10-11H,5-8H2,1-4H3,(H,13,14)/p-1
InChIKeyIIXDJAAWQTVMRU-UHFFFAOYSA-M
MW364.49 g/mol
LogP-1.30
Rot. Bonds10

About 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane

1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane (PubChem CID 57049644) has the molecular formula C9H22N3O6S3- and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane.

Molecular Properties

Compound Name1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane
PubChem CID57049644
Molecular FormulaC9H22N3O6S3-
Molecular Weight364.49 g/mol
Exact Mass364.07
IUPAC Name1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane
SMILESCCNS(=O)(=O)CC(C)(C)NS(=O)(=O)CN(CC)S(=O)[O-]
InChIInChI=1S/C9H23N3O6S3/c1-5-10-20(15,16)7-9(3,4)11-21(17,18)8-12(6-2)19(13)14/h10-11H,5-8H2,1-4H3,(H,13,14)/p-1
InChIKeyIIXDJAAWQTVMRU-UHFFFAOYSA-M
XLogP-1.30
TPSA135.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-tert-butylethane-1-sulfonamide
CID 12458644
2-Amino-N-(1,1-dimethylethyl)-N-methylethanesulfonamide
CID 21016300
N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide
CID 57067965
N,2-dimethyl-2-(methylamino)propane-1-sulfonamide
CID 59614736
2-amino-N,N,2-trimethylpropane-1-sulfonamide
CID 59614776
2-(Tert-butylamino)ethanesulfonamide
CID 59743286
2-(tert-butylamino)-N,N-dimethylethanesulfonamide
CID 60147272
3-amino-N-tert-butylpropane-1-sulfonamide
CID 60909676
N-tert-butyl-2-(methylamino)ethanesulfonamide
CID 61547174
N,N'-dipropylpropane-1,3-disulfonamide
CID 88791878
N-tert-butyl-1-[tert-butyl(methylsulfonyl)amino]methanesulfonamide
CID 89118216
N,N,2-trimethyl-2-[methyl(methylsulfonyl)amino]propane-1-sulfonamide
CID 89901717

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane?
The IUPAC name of 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane (CID 57049644) is 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane.
What is the SMILES notation for 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane?
The canonical SMILES for 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane is CCNS(=O)(=O)CC(C)(C)NS(=O)(=O)CN(CC)S(=O)[O-].
What is the InChIKey of 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane?
The InChIKey is IIXDJAAWQTVMRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H23N3O6S3/c1-5-10-20(15,16)7-9(3,4)11-21(17,18)8-12(6-2)19(13)14/h10-11H,5-8H2,1-4H3,(H,13,14)/p-1.
What are the key properties of 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane?
1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane has a molecular weight of 364.49 g/mol, XLogP of -1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane is sourced from PubChem (CID 57049644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).