(3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one

C15H17N3O3S — CID 175298564

IUPAC(3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one
SMILESCN(C)c1cccc2ccc(S(=O)(=O)N3C[C@@H](N)C3=O)cc12
InChIInChI=1S/C15H17N3O3S/c1-17(2)14-5-3-4-10-6-7-11(8-12(10)14)22(20,21)18-9-13(16)15(18)19/h3-8,13H,9,16H2,1-2H3/t13-/m1/s1
InChIKeyFCYRCHFZZSQAOH-CYBMUJFWSA-N
MW319.39 g/mol
LogP0.76
Rot. Bonds3

About (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one

(3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one (PubChem CID 175298564) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one
PubChem CID175298564
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one
SMILESCN(C)c1cccc2ccc(S(=O)(=O)N3C[C@@H](N)C3=O)cc12
InChIInChI=1S/C15H17N3O3S/c1-17(2)14-5-3-4-10-6-7-11(8-12(10)14)22(20,21)18-9-13(16)15(18)19/h3-8,13H,9,16H2,1-2H3/t13-/m1/s1
InChIKeyFCYRCHFZZSQAOH-CYBMUJFWSA-N
XLogP0.76
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(4-nitrophenyl)sulfonylazetidin-2-one
CID 175772702
methyl 1-[5-(dimethylamino)naphthalen-2-yl]sulfonylaziridine-2-carboxylate
CID 154726937
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol
CID 143369570
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020
3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
CID 155907204
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
2-methyl-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 16761146
1-cyclohexylsulfonyl-N,N-dimethylindol-4-amine
CID 162666403

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one?
The IUPAC name of (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one (CID 175298564) is (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one?
The canonical SMILES for (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one is CN(C)c1cccc2ccc(S(=O)(=O)N3C[C@@H](N)C3=O)cc12.
What is the InChIKey of (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one?
The InChIKey is FCYRCHFZZSQAOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-17(2)14-5-3-4-10-6-7-11(8-12(10)14)22(20,21)18-9-13(16)15(18)19/h3-8,13H,9,16H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one?
(3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one has a molecular weight of 319.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[8-(dimethylamino)naphthalen-2-yl]sulfonylazetidin-2-one is sourced from PubChem (CID 175298564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).