N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine

C8H21N3O2S — CID 28708159

IUPACN'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(CCN)C(C)(C)C
InChIInChI=1S/C8H21N3O2S/c1-8(2,3)11(7-6-9)14(12,13)10(4)5/h6-7,9H2,1-5H3
InChIKeyKKMWTYUNVBNLHE-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.15
Rot. Bonds4

About N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine

N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine (PubChem CID 28708159) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
PubChem CID28708159
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC NameN'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(CCN)C(C)(C)C
InChIInChI=1S/C8H21N3O2S/c1-8(2,3)11(7-6-9)14(12,13)10(4)5/h6-7,9H2,1-5H3
InChIKeyKKMWTYUNVBNLHE-UHFFFAOYSA-N
XLogP-0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-Aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane
CID 107493859
2-[[2-Aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
CID 107493943
1-Amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
CID 113636439
1-Amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114803883
2-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
1,1-Dimethyl-2-[(dimethylamino)sulfonylamino]ethylamine
CID 13603865
2-[Di(propan-2-yl)sulfamoylamino]propane
CID 23598036
N-(2-aminoethyl)-N-tert-butylmethanesulfonamide
CID 28708151
N-tert-butylpiperazine-1-sulfonamide
CID 28775593
N,N,3,3-tetramethylpiperazine-1-sulfonamide
CID 53987227
2-[Propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane
CID 57206058
N-[2-(tert-butylamino)ethyl]sulfamate
CID 58003865

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine (CID 28708159) is N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine is CN(C)S(=O)(=O)N(CCN)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is KKMWTYUNVBNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-8(2,3)11(7-6-9)14(12,13)10(4)5/h6-7,9H2,1-5H3.
What are the key properties of N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 28708159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).