(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine

C13H18N2O3S — CID 6238586

IUPAC(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine
SMILESCC1CN(S(=O)(=O)c2ccccc2)C(C)C/C1=N\O
InChIInChI=1S/C13H18N2O3S/c1-10-9-15(11(2)8-13(10)14-16)19(17,18)12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3/b14-13+
InChIKeyAFLLCZIWWKXUCY-BUHFOSPRSA-N
MW282.36 g/mol
LogP1.94
Rot. Bonds2

About (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 6238586) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine
PubChem CID6238586
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine
SMILESCC1CN(S(=O)(=O)c2ccccc2)C(C)C/C1=N\O
InChIInChI=1S/C13H18N2O3S/c1-10-9-15(11(2)8-13(10)14-16)19(17,18)12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3/b14-13+
InChIKeyAFLLCZIWWKXUCY-BUHFOSPRSA-N
XLogP1.94
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

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CID 124927772
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
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1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
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1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
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(NE)-N-[1-(4-bromophenyl)sulfonyl-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114500965
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine (CID 6238586) is (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine is CC1CN(S(=O)(=O)c2ccccc2)C(C)C/C1=N\O.
What is the InChIKey of (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is AFLLCZIWWKXUCY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-9-15(11(2)8-13(10)14-16)19(17,18)12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3/b14-13+.
What are the key properties of (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 282.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 6238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).