4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide

C10H18N4O2S — CID 82907605

IUPAC4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
SMILESCN(C)CCNc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C10H18N4O2S/c1-14(2)6-5-13-10-7-8(17(12,15)16)3-4-9(10)11/h3-4,7,13H,5-6,11H2,1-2H3,(H2,12,15,16)
InChIKeyROBPVRPQDNOSIX-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.11
Rot. Bonds5

About 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide

4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide (PubChem CID 82907605) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
PubChem CID82907605
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
SMILESCN(C)CCNc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C10H18N4O2S/c1-14(2)6-5-13-10-7-8(17(12,15)16)3-4-9(10)11/h3-4,7,13H,5-6,11H2,1-2H3,(H2,12,15,16)
InChIKeyROBPVRPQDNOSIX-UHFFFAOYSA-N
XLogP-0.11
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-amino-5-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116616
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
4-amino-3-[2-(dimethylamino)ethylamino]phenol
CID 118147492
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide (CID 82907605) is 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide is CN(C)CCNc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide?
The InChIKey is ROBPVRPQDNOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14(2)6-5-13-10-7-8(17(12,15)16)3-4-9(10)11/h3-4,7,13H,5-6,11H2,1-2H3,(H2,12,15,16).
What are the key properties of 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide?
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide is sourced from PubChem (CID 82907605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).