N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide

C10H17N3O2S — CID 58265706

IUPACN,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
SMILESCNN(C)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H17N3O2S/c1-11-13(4)9-6-5-7-10(8-9)16(14,15)12(2)3/h5-8,11H,1-4H3
InChIKeyOCGNLRXHSGXDJE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.51
Rot. Bonds4

About N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide

N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide (PubChem CID 58265706) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
PubChem CID58265706
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
SMILESCNN(C)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H17N3O2S/c1-11-13(4)9-6-5-7-10(8-9)16(14,15)12(2)3/h5-8,11H,1-4H3
InChIKeyOCGNLRXHSGXDJE-UHFFFAOYSA-N
XLogP0.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide (CID 58265706) is N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide is CNN(C)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide?
The InChIKey is OCGNLRXHSGXDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-11-13(4)9-6-5-7-10(8-9)16(14,15)12(2)3/h5-8,11H,1-4H3.
What are the key properties of N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide?
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide is sourced from PubChem (CID 58265706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).