N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine

C8H21N3O2S — CID 106141526

IUPACN-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
SMILESCCNS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C8H21N3O2S/c1-4-10-14(12,13)11-7-8(2,3)5-6-9/h10-11H,4-7,9H2,1-3H3
InChIKeyRCGPNJUSACKNPA-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.19
Rot. Bonds7

About N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine

N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 106141526) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID106141526
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC NameN-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine
SMILESCCNS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C8H21N3O2S/c1-4-10-14(12,13)11-7-8(2,3)5-6-9/h10-11H,4-7,9H2,1-3H3
InChIKeyRCGPNJUSACKNPA-UHFFFAOYSA-N
XLogP-0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-Dibutylsulphamide
CID 69809
3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
butylazanium;N-butylsulfamate
CID 134895769
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
3,3-Dimethyl-1-(sulfinatoamino)butane
CID 19598457
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
Bis(3-methylbutylazanium);sulfate
CID 20836350
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
2,3,3-trimethyl-N-(2,3,3-trimethylbutylsulfamoyl)butan-1-amine
CID 23323940
3,3-Dimethylbutylsulfamic acid
CID 57071357
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
N-(3,3-dimethylbutyl)sulfamate
CID 59847904

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine (CID 106141526) is N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine is CCNS(=O)(=O)NCC(C)(C)CCN.
What is the InChIKey of N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is RCGPNJUSACKNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-4-10-14(12,13)11-7-8(2,3)5-6-9/h10-11H,4-7,9H2,1-3H3.
What are the key properties of N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine?
N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 106141526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).