(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine

C14H19NOS — CID 6394997

IUPAC(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
SMILESO/N=C1\CCCCCCC1Sc1ccccc1
InChIInChI=1S/C14H19NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h3-5,8-9,14,16H,1-2,6-7,10-11H2/b15-13+
InChIKeyPIYZMQWSFCDKGT-FYWRMAATSA-N
MW249.38 g/mol
LogP4.33
Rot. Bonds2

About (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine

(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine (PubChem CID 6394997) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
PubChem CID6394997
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
SMILESO/N=C1\CCCCCCC1Sc1ccccc1
InChIInChI=1S/C14H19NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h3-5,8-9,14,16H,1-2,6-7,10-11H2/b15-13+
InChIKeyPIYZMQWSFCDKGT-FYWRMAATSA-N
XLogP4.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 54.33
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

4-(Phenylsulfonyl)-2-butanone oxime
CID 6346122
(NE)-N-(2-phenylsulfanylcyclohexylidene)hydroxylamine
CID 12301364
(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
CID 134964751
(NE)-N-[2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
CID 53483602
(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
CID 177439222
(NE)-N-[(2S)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
CID 177451819
N-[4-(benzenesulfonyl)butan-2-ylidene]hydroxylamine
CID 1471651
(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine
CID 14266959
N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
CID 3480051
phenyl (1E)-N-hydroxyethanimidothioate
CID 13180047
phenyl (1Z)-N-hydroxyethanimidothioate
CID 13180048
(NE)-N-[2-(benzenesulfonyl)cyclododecylidene]hydroxylamine
CID 13603809

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine (CID 6394997) is (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine is O/N=C1\CCCCCCC1Sc1ccccc1.
What is the InChIKey of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?
The InChIKey is PIYZMQWSFCDKGT-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h3-5,8-9,14,16H,1-2,6-7,10-11H2/b15-13+.
What are the key properties of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?
(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine has a molecular weight of 249.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 6394997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).