1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine

C12H16N2O4S — CID 88572074

IUPAC1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine
SMILESCOc1cc(N=O)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16N2O4S/c1-18-11-9-10(13-15)5-6-12(11)19(16,17)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKZKCROZJEBQTNL-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.27
Rot. Bonds4

About 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine

1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine (PubChem CID 88572074) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine
PubChem CID88572074
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine
SMILESCOc1cc(N=O)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16N2O4S/c1-18-11-9-10(13-15)5-6-12(11)19(16,17)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKZKCROZJEBQTNL-UHFFFAOYSA-N
XLogP2.27
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
CID 102703936
1-[4-(chloromethyl)-2-methoxyphenyl]sulfonylpiperidine
CID 102704166
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
5-(azepan-1-ylsulfonyl)-2,4-dimethoxybenzoic acid
CID 20505968
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine?
The IUPAC name of 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine (CID 88572074) is 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine is COc1cc(N=O)ccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine?
The InChIKey is KZKCROZJEBQTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-11-9-10(13-15)5-6-12(11)19(16,17)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine?
1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine has a molecular weight of 284.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine is sourced from PubChem (CID 88572074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).