(NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

C11H15N3O2S — CID 6510231

IUPAC(NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCN1CCC/C1=N/S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H15N3O2S/c1-14-8-2-3-11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3/b13-11-
InChIKeyASQPQNKOPBDHPS-QBFSEMIESA-N
MW253.33 g/mol
LogP1.08
Rot. Bonds2

About (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

(NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide (PubChem CID 6510231) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
PubChem CID6510231
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name(NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCN1CCC/C1=N/S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H15N3O2S/c1-14-8-2-3-11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3/b13-11-
InChIKeyASQPQNKOPBDHPS-QBFSEMIESA-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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Related Compounds

4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-(Pyrrolidine-1-sulfonyl)aniline
CID 535805
3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
CID 3258067
4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
CID 2061233
3-(Pyrrolidin-1-ylsulphonyl)aniline
CID 2794790
4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzene-1-sulfonamide
CID 729446
N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 2928889
3-Amino-N-(1-methyl-2-pyrrolidinylidene)benzenesulfonamide
CID 39871087
N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide
CID 45261186
(NZ)-4-amino-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
CID 44360361
4-(3-Cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylaniline
CID 44385974
4-amino-N,N-dipropylbenzenesulfonamide
CID 2181109

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide (CID 6510231) is (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide is CN1CCC/C1=N/S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The InChIKey is ASQPQNKOPBDHPS-QBFSEMIESA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14-8-2-3-11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3/b13-11-.
What are the key properties of (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
(NZ)-4-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 (NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 6510231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).