3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide

C13H22N4O2S — CID 60987259

IUPAC3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
SMILESCCN1CCCC1CNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H22N4O2S/c1-2-17-5-3-4-12(17)9-16-11-6-10(14)7-13(8-11)20(15,18)19/h6-8,12,16H,2-5,9,14H2,1H3,(H2,15,18,19)
InChIKeyVABZVSQYOIGJEP-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.81
Rot. Bonds5

About 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide

3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide (PubChem CID 60987259) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
PubChem CID60987259
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
SMILESCCN1CCCC1CNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H22N4O2S/c1-2-17-5-3-4-12(17)9-16-11-6-10(14)7-13(8-11)20(15,18)19/h6-8,12,16H,2-5,9,14H2,1H3,(H2,15,18,19)
InChIKeyVABZVSQYOIGJEP-UHFFFAOYSA-N
XLogP0.81
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide 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

3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151
5-amino-3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79899490
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316
4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80778168
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544
3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
CID 63995222
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide (CID 60987259) is 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide is CCN1CCCC1CNc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
The InChIKey is VABZVSQYOIGJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-17-5-3-4-12(17)9-16-11-6-10(14)7-13(8-11)20(15,18)19/h6-8,12,16H,2-5,9,14H2,1H3,(H2,15,18,19).
What are the key properties of 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 60987259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).