(NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine

C12H15NO3S — CID 11075983

IUPAC(NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine
SMILESCC1(S(=O)(=O)c2ccccc2)CCC/C1=N\O
InChIInChI=1S/C12H15NO3S/c1-12(9-5-8-11(12)13-14)17(15,16)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3/b13-11+
InChIKeyNUFXUHRQBQEXCE-ACCUITESSA-N
MW253.32 g/mol
LogP2.23
Rot. Bonds2

About (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine

(NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine (PubChem CID 11075983) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine
PubChem CID11075983
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name(NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine
SMILESCC1(S(=O)(=O)c2ccccc2)CCC/C1=N\O
InChIInChI=1S/C12H15NO3S/c1-12(9-5-8-11(12)13-14)17(15,16)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3/b13-11+
InChIKeyNUFXUHRQBQEXCE-ACCUITESSA-N
XLogP2.23
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.23
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-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine (CID 11075983) is (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine is CC1(S(=O)(=O)c2ccccc2)CCC/C1=N\O.
What is the InChIKey of (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine?
The InChIKey is NUFXUHRQBQEXCE-ACCUITESSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-12(9-5-8-11(12)13-14)17(15,16)10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3/b13-11+.
What are the key properties of (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine?
(NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine has a molecular weight of 253.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(benzenesulfonyl)-2-methylcyclopentylidene]hydroxylamine is sourced from PubChem (CID 11075983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).