N'-(tert-butylsulfamoyl)-N-methylmethanediamine

C6H17N3O2S — CID 117126162

IUPACN'-(tert-butylsulfamoyl)-N-methylmethanediamine
SMILESCNCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H17N3O2S/c1-6(2,3)9-12(10,11)8-5-7-4/h7-9H,5H2,1-4H3
InChIKeyLEDJJHCSGUTGKP-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.61
Rot. Bonds4

About N'-(tert-butylsulfamoyl)-N-methylmethanediamine

N'-(tert-butylsulfamoyl)-N-methylmethanediamine (PubChem CID 117126162) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is N'-(tert-butylsulfamoyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(tert-butylsulfamoyl)-N-methylmethanediamine
PubChem CID117126162
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC NameN'-(tert-butylsulfamoyl)-N-methylmethanediamine
SMILESCNCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H17N3O2S/c1-6(2,3)9-12(10,11)8-5-7-4/h7-9H,5H2,1-4H3
InChIKeyLEDJJHCSGUTGKP-UHFFFAOYSA-N
XLogP-0.61
TPSA70.23 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 ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(tert-butylsulfamoyl)-N-methylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
N-(2-bromoprop-2-enylsulfamoyl)-2-methylpropan-2-amine
CID 114807251
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
N-(tert-butylsulfamoyl)pent-3-yn-1-amine
CID 114812605
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
N-tert-butylmethanesulfonamide;2,2-dimethylpropane
CID 161299007
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938

Frequently Asked Questions

What is the IUPAC name of N'-(tert-butylsulfamoyl)-N-methylmethanediamine?
The IUPAC name of N'-(tert-butylsulfamoyl)-N-methylmethanediamine (CID 117126162) is N'-(tert-butylsulfamoyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(tert-butylsulfamoyl)-N-methylmethanediamine?
The canonical SMILES for N'-(tert-butylsulfamoyl)-N-methylmethanediamine is CNCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N'-(tert-butylsulfamoyl)-N-methylmethanediamine?
The InChIKey is LEDJJHCSGUTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-6(2,3)9-12(10,11)8-5-7-4/h7-9H,5H2,1-4H3.
What are the key properties of N'-(tert-butylsulfamoyl)-N-methylmethanediamine?
N'-(tert-butylsulfamoyl)-N-methylmethanediamine has a molecular weight of 195.29 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(tert-butylsulfamoyl)-N-methylmethanediamine is sourced from PubChem (CID 117126162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).