N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide

C7H17N3O2S — CID 58684662

IUPACN-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide
SMILESC/C(CN)=N\NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H17N3O2S/c1-6(5-8)9-10-13(11,12)7(2,3)4/h10H,5,8H2,1-4H3/b9-6+
InChIKeyYEFHZZLNYJUPGQ-RMKNXTFCSA-N
MW207.30 g/mol
LogP0.04
Rot. Bonds3

About N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide

N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide (PubChem CID 58684662) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide
PubChem CID58684662
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC NameN-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide
SMILESC/C(CN)=N\NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H17N3O2S/c1-6(5-8)9-10-13(11,12)7(2,3)4/h10H,5,8H2,1-4H3/b9-6+
InChIKeyYEFHZZLNYJUPGQ-RMKNXTFCSA-N
XLogP0.04
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide (CID 58684662) is N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide is C/C(CN)=N\NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide?
The InChIKey is YEFHZZLNYJUPGQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-6(5-8)9-10-13(11,12)7(2,3)4/h10H,5,8H2,1-4H3/b9-6+.
What are the key properties of N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide?
N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide has a molecular weight of 207.30 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-aminopropan-2-ylideneamino]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 58684662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).