(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide

C15H21N3O4S — CID 124842008

IUPAC(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide
SMILESCN(CC(=O)N1CC[C@@](C)(C(N)=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21N3O4S/c1-15(14(16)20)8-9-18(11-15)13(19)10-17(2)23(21,22)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,16,20)/t15-/m1/s1
InChIKeyBKOXFVCMAIWTBV-OAHLLOKOSA-N
MW339.42 g/mol
LogP0.03
Rot. Bonds5

About (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide

(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 124842008) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID124842008
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide
SMILESCN(CC(=O)N1CC[C@@](C)(C(N)=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21N3O4S/c1-15(14(16)20)8-9-18(11-15)13(19)10-17(2)23(21,22)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,16,20)/t15-/m1/s1
InChIKeyBKOXFVCMAIWTBV-OAHLLOKOSA-N
XLogP0.03
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 120810189
1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256267
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 120805147
1-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354063
N-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide;hydrochloride
CID 119576332
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2941900
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 126527358
N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55623713
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 6963153

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide (CID 124842008) is (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide is CN(CC(=O)N1CC[C@@](C)(C(N)=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is BKOXFVCMAIWTBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(14(16)20)8-9-18(11-15)13(19)10-17(2)23(21,22)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,16,20)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide?
(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124842008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).