6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide

C19H31ClN2O4SSi — CID 58932468

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(C(N)=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H31ClN2O4SSi/c1-19(2,3)28(4,5)26-13-15-7-6-8-17(18(21)23)22(15)27(24,25)16-11-9-14(20)10-12-16/h9-12,15,17H,6-8,13H2,1-5H3,(H2,21,23)
InChIKeySPTWIVJUWHPLSQ-UHFFFAOYSA-N
MW447.07 g/mol
LogP3.76
Rot. Bonds6

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 58932468) has the molecular formula C19H31ClN2O4SSi and a molecular weight of 447.07 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID58932468
Molecular FormulaC19H31ClN2O4SSi
Molecular Weight447.07 g/mol
Exact Mass446.15
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(C(N)=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H31ClN2O4SSi/c1-19(2,3)28(4,5)26-13-15-7-6-8-17(18(21)23)22(15)27(24,25)16-11-9-14(20)10-12-16/h9-12,15,17H,6-8,13H2,1-5H3,(H2,21,23)
InChIKeySPTWIVJUWHPLSQ-UHFFFAOYSA-N
XLogP3.76
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.07
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-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

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide
CID 58932409
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 58639775
methyl 2-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]prop-2-enoate
CID 58584473
[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 59051238
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate
CID 163768021
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-propan-2-ylpiperidin-2-yl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 58850263
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 10152239
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 3-(azepan-1-yl)pyrrolidine-1-carboxylate
CID 58850114
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(methoxymethyl)piperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 58850150
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide (CID 58932468) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide is CC(C)(C)[Si](C)(C)OCC1CCCC(C(N)=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is SPTWIVJUWHPLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O4SSi/c1-19(2,3)28(4,5)26-13-15-7-6-8-17(18(21)23)22(15)27(24,25)16-11-9-14(20)10-12-16/h9-12,15,17H,6-8,13H2,1-5H3,(H2,21,23).
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 447.07 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 58932468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).