(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine

C10H21NOS — CID 25010752

IUPAC(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine
SMILESCSCCCCCCCC/C=N/O
InChIInChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+
InChIKeyAOYJXBVIPWAMOG-PKNBQFBNSA-N
MW203.35 g/mol
LogP3.54
Rot. Bonds9

About (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine

(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine (PubChem CID 25010752) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine
PubChem CID25010752
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine
SMILESCSCCCCCCCC/C=N/O
InChIInChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+
InChIKeyAOYJXBVIPWAMOG-PKNBQFBNSA-N
XLogP3.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

8-Methylthiooctanaldoxime
CID 25010745
(E)-6-(methylsulfanyl)hexanal oxime
CID 25010756
(E)-5-(methylsulfanyl)pentanal oxime
CID 25010757
5-(Methylthio)pentanal oxime
CID 74388162
7-(Methylsulfanyl)heptanal oxime
CID 25010753
6-(Methylsulfanyl)hexanal oxime
CID 74388161
8-(Methylsulfanyl)octanal oxime
CID 74388157
9-(Methylsulfanyl)nonanal oxime
CID 74388159
1-(Methylsulfanyl)-8-aci-nitrooctane
CID 123131560
1-(Methylsulfanyl)-9-aci-nitrononane
CID 123131533
1-(Methylsulfanyl)-6-aci-nitrohexane
CID 123131543
1-(Methylsulfanyl)-7-aci-nitroheptane
CID 123131559

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine?
The IUPAC name of (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine (CID 25010752) is (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine is CSCCCCCCCC/C=N/O.
What is the InChIKey of (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine?
The InChIKey is AOYJXBVIPWAMOG-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+.
What are the key properties of (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine?
(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine has a molecular weight of 203.35 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(9-methylsulfanylnonylidene)hydroxylamine is sourced from PubChem (CID 25010752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).