(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine

C11H14N2O3S — CID 58310932

IUPAC(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1/C=N/O)N1CCCC1
InChIInChI=1S/C11H14N2O3S/c14-12-9-10-5-1-2-6-11(10)17(15,16)13-7-3-4-8-13/h1-2,5-6,9,14H,3-4,7-8H2/b12-9+
InChIKeyVQQQPSBEFITRAW-FMIVXFBMSA-N
MW254.31 g/mol
LogP1.28
Rot. Bonds3

About (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine

(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine (PubChem CID 58310932) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine
PubChem CID58310932
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1/C=N/O)N1CCCC1
InChIInChI=1S/C11H14N2O3S/c14-12-9-10-5-1-2-6-11(10)17(15,16)13-7-3-4-8-13/h1-2,5-6,9,14H,3-4,7-8H2/b12-9+
InChIKeyVQQQPSBEFITRAW-FMIVXFBMSA-N
XLogP1.28
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.28
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 86922481
1-(2-phenylphenyl)sulfonylpyrrolidine
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1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine
CID 123690881
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
3-(2-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711765
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
2-[(Z)-[[2-(azepan-1-ylsulfonyl)-4-nitrophenyl]hydrazinylidene]methyl]phenol
CID 137172687
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
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1-(2-methylphenyl)sulfonylaziridine
CID 22214975

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine (CID 58310932) is (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine is O=S(=O)(c1ccccc1/C=N/O)N1CCCC1.
What is the InChIKey of (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine?
The InChIKey is VQQQPSBEFITRAW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-12-9-10-5-1-2-6-11(10)17(15,16)13-7-3-4-8-13/h1-2,5-6,9,14H,3-4,7-8H2/b12-9+.
What are the key properties of (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine has a molecular weight of 254.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 58310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).