(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide

C18H28N2O6S — CID 7457802

IUPAC(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H28N2O6S/c1-13(12-24-2)19-18(21)14-6-5-9-20(11-14)27(22,23)15-7-8-16(25-3)17(10-15)26-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyYLZGBTXDBPCYLO-KBPBESRZSA-N
MW400.50 g/mol
LogP1.26
Rot. Bonds8

About (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide

(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide (PubChem CID 7457802) has the molecular formula C18H28N2O6S and a molecular weight of 400.50 g/mol. Its IUPAC name is (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
PubChem CID7457802
Molecular FormulaC18H28N2O6S
Molecular Weight400.50 g/mol
Exact Mass400.17
IUPAC Name(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H28N2O6S/c1-13(12-24-2)19-18(21)14-6-5-9-20(11-14)27(22,23)15-7-8-16(25-3)17(10-15)26-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyYLZGBTXDBPCYLO-KBPBESRZSA-N
XLogP1.26
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457807
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404720
N-[1-(4-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133163361
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401
1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 133189587
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 7453410
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide (CID 7457802) is (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide is COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide?
The InChIKey is YLZGBTXDBPCYLO-KBPBESRZSA-N. The full InChI is InChI=1S/C18H28N2O6S/c1-13(12-24-2)19-18(21)14-6-5-9-20(11-14)27(22,23)15-7-8-16(25-3)17(10-15)26-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide?
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 7457802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).