N'-(tert-butylsulfamoyl)ethane-1,2-diamine

C6H17N3O2S — CID 114803625

IUPACN'-(tert-butylsulfamoyl)ethane-1,2-diamine
SMILESCC(C)(C)NS(=O)(=O)NCCN
InChIInChI=1S/C6H17N3O2S/c1-6(2,3)9-12(10,11)8-5-4-7/h8-9H,4-5,7H2,1-3H3
InChIKeyMTECGXGBKLZZIN-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.83
Rot. Bonds4

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

N'-(tert-butylsulfamoyl)ethane-1,2-diamine (PubChem CID 114803625) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is N'-(tert-butylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(tert-butylsulfamoyl)ethane-1,2-diamine
PubChem CID114803625
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC NameN'-(tert-butylsulfamoyl)ethane-1,2-diamine
SMILESCC(C)(C)NS(=O)(=O)NCCN
InChIInChI=1S/C6H17N3O2S/c1-6(2,3)9-12(10,11)8-5-4-7/h8-9H,4-5,7H2,1-3H3
InChIKeyMTECGXGBKLZZIN-UHFFFAOYSA-N
XLogP-0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15729847
N,N'-diisopropylsulfamide
CID 2818101
(2-Amino-2-methylpropyl)(sulfamoyl)amine hydrochloride
CID 137838176
3,3-Dimethyl-1lambda~6~,2,5-thiadiazolidine-1,1-dione
CID 10261248
N-(1-amino-2-methylpropan-2-yl)methanesulfonamide
CID 51975222
N-(2-amino-2-methylpropyl)methanesulfonamide
CID 54269131
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803658
2-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114811222
N-(1-amino-2-methylpropan-2-yl)sulfamoyl fluoride
CID 167736042
1,1-Dimethyl-2-[(dimethylamino)sulfonylamino]ethylamine
CID 13603865
2-methyl-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 22966183

Frequently Asked Questions

What is the IUPAC name of N'-(tert-butylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-(tert-butylsulfamoyl)ethane-1,2-diamine (CID 114803625) is N'-(tert-butylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(tert-butylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-(tert-butylsulfamoyl)ethane-1,2-diamine is CC(C)(C)NS(=O)(=O)NCCN.
What is the InChIKey of N'-(tert-butylsulfamoyl)ethane-1,2-diamine?
The InChIKey is MTECGXGBKLZZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-6(2,3)9-12(10,11)8-5-4-7/h8-9H,4-5,7H2,1-3H3.
What are the key properties of N'-(tert-butylsulfamoyl)ethane-1,2-diamine?
N'-(tert-butylsulfamoyl)ethane-1,2-diamine has a molecular weight of 195.29 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(tert-butylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 114803625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).