ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate

C22H30N2O6S2 — CID 162365393

IUPACethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3cc(S(=O)(=O)N(CC)CC)ccc3c2)C1
InChIInChI=1S/C22H30N2O6S2/c1-4-23(5-2)31(26,27)20-11-9-18-15-21(12-10-17(18)14-20)32(28,29)24-13-7-8-19(16-24)22(25)30-6-3/h9-12,14-15,19H,4-8,13,16H2,1-3H3/t19-/m1/s1
InChIKeySCGHRCSSXWYTOT-LJQANCHMSA-N
MW482.62 g/mol
LogP2.83
Rot. Bonds8

About ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate

ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate (PubChem CID 162365393) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate
PubChem CID162365393
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC Nameethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3cc(S(=O)(=O)N(CC)CC)ccc3c2)C1
InChIInChI=1S/C22H30N2O6S2/c1-4-23(5-2)31(26,27)20-11-9-18-15-21(12-10-17(18)14-20)32(28,29)24-13-7-8-19(16-24)22(25)30-6-3/h9-12,14-15,19H,4-8,13,16H2,1-3H3/t19-/m1/s1
InChIKeySCGHRCSSXWYTOT-LJQANCHMSA-N
XLogP2.83
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Naphthalene-2-sulfonyl)piperidine-4-carboxylic acid
CID 811844
(R)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063083
Ethyl 1-tosylpiperidine-3-carboxylate
CID 2904514
1-Anthracen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 71451741
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-3-carboxylate
CID 3785564
(S)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063081
Ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 24819944
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 735899
Ethyl 1-[(3,4-dimethylphenyl)sulfonyl]piperidine-4-carboxylate
CID 1090993
ethyl (3R)-1-[4-(diethylsulfamoyl)-2-methylphenyl]sulfonylpiperidine-3-carboxylate
CID 162365385
1-(Naphthalene-2-sulfonyl)piperidine-3-carboxylic acid
CID 3153634
Ethyl 1-{[1-(2-naphthylsulfonyl)-4-piperidinyl]carbonyl}-4-piperidinecarboxylate
CID 2989238

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate (CID 162365393) is ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3cc(S(=O)(=O)N(CC)CC)ccc3c2)C1.
What is the InChIKey of ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate?
The InChIKey is SCGHRCSSXWYTOT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-4-23(5-2)31(26,27)20-11-9-18-15-21(12-10-17(18)14-20)32(28,29)24-13-7-8-19(16-24)22(25)30-6-3/h9-12,14-15,19H,4-8,13,16H2,1-3H3/t19-/m1/s1.
What are the key properties of ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate has a molecular weight of 482.62 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 162365393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).