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

C7H19N3O2S — CID 167374443

IUPACN-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine
SMILESCNS(=O)(=O)NCCNC(C)(C)C
InChIInChI=1S/C7H19N3O2S/c1-7(2,3)9-5-6-10-13(11,12)8-4/h8-10H,5-6H2,1-4H3
InChIKeyDRUNOAXNNPJNBO-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.57
Rot. Bonds5

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

N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine (PubChem CID 167374443) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine
PubChem CID167374443
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC NameN-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine
SMILESCNS(=O)(=O)NCCNC(C)(C)C
InChIInChI=1S/C7H19N3O2S/c1-7(2,3)9-5-6-10-13(11,12)8-4/h8-10H,5-6H2,1-4H3
InChIKeyDRUNOAXNNPJNBO-UHFFFAOYSA-N
XLogP-0.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine (CID 167374443) is N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine is CNS(=O)(=O)NCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine?
The InChIKey is DRUNOAXNNPJNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-7(2,3)9-5-6-10-13(11,12)8-4/h8-10H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine?
N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine has a molecular weight of 209.31 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(methylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 167374443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).