(NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine

C13H17NO3S — CID 42956275

IUPAC(NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H17NO3S/c1-10(14-15)11-6-8-13(9-7-11)18(16,17)12-4-2-3-5-12/h6-9,12,15H,2-5H2,1H3/b14-10+
InChIKeyIXGCXXNUEKKSIG-GXDHUFHOSA-N
MW267.35 g/mol
LogP2.60
Rot. Bonds3

About (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine (PubChem CID 42956275) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine
PubChem CID42956275
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H17NO3S/c1-10(14-15)11-6-8-13(9-7-11)18(16,17)12-4-2-3-5-12/h6-9,12,15H,2-5H2,1H3/b14-10+
InChIKeyIXGCXXNUEKKSIG-GXDHUFHOSA-N
XLogP2.60
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine (CID 42956275) is (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine?
The InChIKey is IXGCXXNUEKKSIG-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10(14-15)11-6-8-13(9-7-11)18(16,17)12-4-2-3-5-12/h6-9,12,15H,2-5H2,1H3/b14-10+.
What are the key properties of (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine has a molecular weight of 267.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-cyclopentylsulfonylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 42956275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).