(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine

C12H14FNOS — CID 177439222

IUPAC(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC[C@H]1Sc1ccc(F)cc1
InChIInChI=1S/C12H14FNOS/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15/h5-8,12,15H,1-4H2/b14-11+/t12-/m1/s1
InChIKeyGUONZUZHORTLRU-SLQMCABGSA-N
MW239.31 g/mol
LogP3.69
Rot. Bonds2

About (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine

(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine (PubChem CID 177439222) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
PubChem CID177439222
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC[C@H]1Sc1ccc(F)cc1
InChIInChI=1S/C12H14FNOS/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15/h5-8,12,15H,1-4H2/b14-11+/t12-/m1/s1
InChIKeyGUONZUZHORTLRU-SLQMCABGSA-N
XLogP3.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6346122
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4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 54228806
3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 54378119
(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
CID 118209396
N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
CID 118209397
N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
CID 152543135
N-[2-(4-fluorophenyl)sulfonyl-6-hydroxyiminocyclohexylidene]hydroxylamine
CID 153968741
(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
CID 6394997
(NE)-N-(2-phenylsulfanylcyclohexylidene)hydroxylamine
CID 12301364
(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
CID 134964751
6-Phenylsulfanylcyclohexa-2,4-dien-1-imine
CID 162397617

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine (CID 177439222) is (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine is O/N=C1\CCCC[C@H]1Sc1ccc(F)cc1.
What is the InChIKey of (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine?
The InChIKey is GUONZUZHORTLRU-SLQMCABGSA-N. The full InChI is InChI=1S/C12H14FNOS/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15/h5-8,12,15H,1-4H2/b14-11+/t12-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine?
(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine has a molecular weight of 239.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 177439222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).