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

C7H19N3O2S — CID 114810641

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

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

N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine (PubChem CID 114810641) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
PubChem CID114810641
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC NameN'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
SMILESCNCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H19N3O2S/c1-7(2,3)10-13(11,12)9-6-5-8-4/h8-10H,5-6H2,1-4H3
InChIKeyYLPFZYHLQUEROT-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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Related Compounds

N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
N-(tert-butylsulfamoyl)pent-3-yn-1-amine
CID 114812605
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835294
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
N-(2-bromoprop-2-enylsulfamoyl)-2-methylpropan-2-amine
CID 114807251
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456

Frequently Asked Questions

What is the IUPAC name of N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine (CID 114810641) is N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine is CNCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine?
The InChIKey is YLPFZYHLQUEROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-7(2,3)10-13(11,12)9-6-5-8-4/h8-10H,5-6H2,1-4H3.
What are the key properties of N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine?
N'-(tert-butylsulfamoyl)-N-methylethane-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-butylsulfamoyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 114810641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).