(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate

C17H19N2O4S- — CID 6921745

IUPAC(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cccc12
InChIInChI=1S/C17H20N2O4S/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21)/p-1/t15-/m1/s1
InChIKeyZHJIWURDCGMVQE-OAHLLOKOSA-M
MW347.42 g/mol
LogP0.81
Rot. Bonds4

About (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate

(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate (PubChem CID 6921745) has the molecular formula C17H19N2O4S- and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate
PubChem CID6921745
Molecular FormulaC17H19N2O4S-
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cccc12
InChIInChI=1S/C17H20N2O4S/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21)/p-1/t15-/m1/s1
InChIKeyZHJIWURDCGMVQE-OAHLLOKOSA-M
XLogP0.81
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 123787937
5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
CID 3720844
(2S,4S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 93483066
tert-butyl 1-[(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-4-carboxylate
CID 70080672
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 2384446
(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 7201386
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6921969
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-(methylsulfamoylmethyl)pyrrolidine-2-carboxylic acid
CID 134350604
N,N-dimethyl-5-(4-nitrosopiperazin-1-yl)sulfonylnaphthalen-1-amine
CID 10383124
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
N-[(3S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 58656156

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate (CID 6921745) is (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate is CN(C)c1cccc2c(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cccc12.
What is the InChIKey of (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate?
The InChIKey is ZHJIWURDCGMVQE-OAHLLOKOSA-M. The full InChI is InChI=1S/C17H20N2O4S/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21)/p-1/t15-/m1/s1.
What are the key properties of (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate?
(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 6921745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).