3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide

C19H30N2O4S — CID 95378591

IUPAC3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCOC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-4-21(5-2)26(23,24)18-11-7-10-17(13-18)19(22)20-12-8-9-16(14-20)15-25-6-3/h7,10-11,13,16H,4-6,8-9,12,14-15H2,1-3H3/t16-/m0/s1
InChIKeyLGLJLGIVVNVTKU-INIZCTEOSA-N
MW382.53 g/mol
LogP2.61
Rot. Bonds8

About 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide

3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide (PubChem CID 95378591) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
PubChem CID95378591
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCOC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-4-21(5-2)26(23,24)18-11-7-10-17(13-18)19(22)20-12-8-9-16(14-20)15-25-6-3/h7,10-11,13,16H,4-6,8-9,12,14-15H2,1-3H3/t16-/m0/s1
InChIKeyLGLJLGIVVNVTKU-INIZCTEOSA-N
XLogP2.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
[3-(bromomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 80661180
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
3-(1,4-diazepane-1-carbonyl)-N,N-diethylbenzenesulfonamide;hydrochloride
CID 119416501

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide (CID 95378591) is 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide is CCOC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1.
What is the InChIKey of 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is LGLJLGIVVNVTKU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-21(5-2)26(23,24)18-11-7-10-17(13-18)19(22)20-12-8-9-16(14-20)15-25-6-3/h7,10-11,13,16H,4-6,8-9,12,14-15H2,1-3H3/t16-/m0/s1.
What are the key properties of 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 95378591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).