N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline

C13H21N3O2S — CID 110753185

IUPACN-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
SMILESCN(C)S(=O)(=O)N(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-14(2)19(17,18)15(3)12-6-8-13(9-7-12)16-10-4-5-11-16/h6-9H,4-5,10-11H2,1-3H3
InChIKeyGSJUHAJRJJXGHY-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.53
Rot. Bonds4

About N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline

N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 110753185) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
PubChem CID110753185
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
SMILESCN(C)S(=O)(=O)N(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-14(2)19(17,18)15(3)12-6-8-13(9-7-12)16-10-4-5-11-16/h6-9H,4-5,10-11H2,1-3H3
InChIKeyGSJUHAJRJJXGHY-UHFFFAOYSA-N
XLogP1.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100504301
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-(2-chloroethyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 82117163
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
CID 82114402
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 94140245
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]ethanesulfonamide
CID 106335032
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline
CID 118396854

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline (CID 110753185) is N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline is CN(C)S(=O)(=O)N(C)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is GSJUHAJRJJXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14(2)19(17,18)15(3)12-6-8-13(9-7-12)16-10-4-5-11-16/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline?
N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 283.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 110753185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).