(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

C21H35N3O3S — CID 7441892

IUPAC(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C21H35N3O3S/c1-6-23(7-2)12-10-22-21(25)19-9-8-11-24(15-19)28(26,27)20-17(4)13-16(3)14-18(20)5/h13-14,19H,6-12,15H2,1-5H3,(H,22,25)/t19-/m1/s1
InChIKeyZAPSCDLXQRWCEK-LJQANCHMSA-N
MW409.60 g/mol
LogP2.47
Rot. Bonds8

About (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 7441892) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID7441892
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C21H35N3O3S/c1-6-23(7-2)12-10-22-21(25)19-9-8-11-24(15-19)28(26,27)20-17(4)13-16(3)14-18(20)5/h13-14,19H,6-12,15H2,1-5H3,(H,22,25)/t19-/m1/s1
InChIKeyZAPSCDLXQRWCEK-LJQANCHMSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 134025693
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388846
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 7441892) is (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is CCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZAPSCDLXQRWCEK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-6-23(7-2)12-10-22-21(25)19-9-8-11-24(15-19)28(26,27)20-17(4)13-16(3)14-18(20)5/h13-14,19H,6-12,15H2,1-5H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 409.60 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 7441892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).