(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine

C12H15NOS — CID 134964751

IUPAC(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C12H15NOS/c14-13-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-3,6-7,12,14H,4-5,8-9H2/b13-11+/t12-/m0/s1
InChIKeyGVHGNBGOEXAZKO-OWRWYXLESA-N
MW221.33 g/mol
LogP3.55
Rot. Bonds2

About (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine

(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine (PubChem CID 134964751) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
PubChem CID134964751
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C12H15NOS/c14-13-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-3,6-7,12,14H,4-5,8-9H2/b13-11+/t12-/m0/s1
InChIKeyGVHGNBGOEXAZKO-OWRWYXLESA-N
XLogP3.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.55
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

(2E)-1-(Phenylsulfonyl)acetone oxime
CID 9615976
4-(Phenylsulfonyl)-2-butanone oxime
CID 6346122
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CID 6374209
(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine
CID 11042951
Phenylsulfonylacetone oxime
CID 822349
(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
6-Methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine
CID 12791711

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine (CID 134964751) is (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine is O/N=C1\CCCC[C@@H]1Sc1ccccc1.
What is the InChIKey of (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine?
The InChIKey is GVHGNBGOEXAZKO-OWRWYXLESA-N. The full InChI is InChI=1S/C12H15NOS/c14-13-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-3,6-7,12,14H,4-5,8-9H2/b13-11+/t12-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine?
(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine has a molecular weight of 221.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 134964751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).