N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C15H24N4O3S — CID 119689801

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCNC1
InChIInChI=1S/C15H24N4O3S/c1-18(2)14-6-5-12(23(21,22)19(3)4)9-13(14)17-15(20)11-7-8-16-10-11/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyYIMNJARWXLXUTH-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.55
Rot. Bonds5

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 119689801) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID119689801
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCNC1
InChIInChI=1S/C15H24N4O3S/c1-18(2)14-6-5-12(23(21,22)19(3)4)9-13(14)17-15(20)11-7-8-16-10-11/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyYIMNJARWXLXUTH-UHFFFAOYSA-N
XLogP0.55
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689774
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-(2-chloro-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 55150235
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119675216

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 119689801) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is YIMNJARWXLXUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-18(2)14-6-5-12(23(21,22)19(3)4)9-13(14)17-15(20)11-7-8-16-10-11/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119689801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).