6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide

C19H32ClN3O4SSi — CID 58932409

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(/C(N)=N/O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H32ClN3O4SSi/c1-19(2,3)29(4,5)27-13-15-7-6-8-17(18(21)22-24)23(15)28(25,26)16-11-9-14(20)10-12-16/h9-12,15,17,24H,6-8,13H2,1-5H3,(H2,21,22)
InChIKeySSYMSOVJZFZDJB-UHFFFAOYSA-N
MW462.09 g/mol
LogP4.02
Rot. Bonds6

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 58932409) has the molecular formula C19H32ClN3O4SSi and a molecular weight of 462.09 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide
PubChem CID58932409
Molecular FormulaC19H32ClN3O4SSi
Molecular Weight462.09 g/mol
Exact Mass461.16
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(/C(N)=N/O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H32ClN3O4SSi/c1-19(2,3)29(4,5)27-13-15-7-6-8-17(18(21)22-24)23(15)28(25,26)16-11-9-14(20)10-12-16/h9-12,15,17,24H,6-8,13H2,1-5H3,(H2,21,22)
InChIKeySSYMSOVJZFZDJB-UHFFFAOYSA-N
XLogP4.02
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.09
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 58932468
[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
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
[(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
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 10152239
[(2R,6S)-1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10919139
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 3-(azepan-1-yl)pyrrolidine-1-carboxylate
CID 58850114
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide (CID 58932409) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide is CC(C)(C)[Si](C)(C)OCC1CCCC(/C(N)=N/O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is SSYMSOVJZFZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN3O4SSi/c1-19(2,3)29(4,5)27-13-15-7-6-8-17(18(21)22-24)23(15)28(25,26)16-11-9-14(20)10-12-16/h9-12,15,17,24H,6-8,13H2,1-5H3,(H2,21,22).
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 462.09 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonyl-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 58932409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).