3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

C11H15N3O2S — CID 39871087

IUPAC3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCN1CCCC1=NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H15N3O2S/c1-14-7-3-6-11(14)13-17(15,16)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,12H2,1H3
InChIKeyLWHNCKLZGOMLKW-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.08
Rot. Bonds2

About 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide (PubChem CID 39871087) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
PubChem CID39871087
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCN1CCCC1=NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H15N3O2S/c1-14-7-3-6-11(14)13-17(15,16)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,12H2,1H3
InChIKeyLWHNCKLZGOMLKW-UHFFFAOYSA-N
XLogP1.08
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide (CID 39871087) is 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide is CN1CCCC1=NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The InChIKey is LWHNCKLZGOMLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14-7-3-6-11(14)13-17(15,16)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,12H2,1H3.
What are the key properties of 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 39871087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).