N-(6-methylsulfanylhexylidene)hydroxylamine

C7H15NOS — CID 74388161

IUPACN-(6-methylsulfanylhexylidene)hydroxylamine
SMILESCSCCCCCC=NO
InChIInChI=1S/C7H15NOS/c1-10-7-5-3-2-4-6-8-9/h6,9H,2-5,7H2,1H3
InChIKeyOKKDZUZMZMLOGY-UHFFFAOYSA-N
MW161.27 g/mol
LogP2.37
Rot. Bonds6

About N-(6-methylsulfanylhexylidene)hydroxylamine

N-(6-methylsulfanylhexylidene)hydroxylamine (PubChem CID 74388161) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-(6-methylsulfanylhexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-methylsulfanylhexylidene)hydroxylamine
PubChem CID74388161
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-(6-methylsulfanylhexylidene)hydroxylamine
SMILESCSCCCCCC=NO
InChIInChI=1S/C7H15NOS/c1-10-7-5-3-2-4-6-8-9/h6,9H,2-5,7H2,1H3
InChIKeyOKKDZUZMZMLOGY-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.37
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

4-Methylthiobutanaldoxime
CID 25010747
8-Methylthiooctanaldoxime
CID 25010745
(E)-6-(methylsulfanyl)hexanal oxime
CID 25010756
(E)-5-(methylsulfanyl)pentanal oxime
CID 25010757
5-(Methylthio)pentanal oxime
CID 74388162
9-Methylthiononanaldoxime
CID 25010752
7-(Methylsulfanyl)heptanal oxime
CID 25010753
8-(Methylsulfanyl)octanal oxime
CID 74388157
9-(Methylsulfanyl)nonanal oxime
CID 74388159
1-(Methylsulfanyl)-8-aci-nitrooctane
CID 123131560
4-(Methylsulfanyl)butanal oxime
CID 25200725
1-(Methylsulfanyl)-5-aci-nitropentane
CID 123131515

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanylhexylidene)hydroxylamine?
The IUPAC name of N-(6-methylsulfanylhexylidene)hydroxylamine (CID 74388161) is N-(6-methylsulfanylhexylidene)hydroxylamine.
What is the SMILES notation for N-(6-methylsulfanylhexylidene)hydroxylamine?
The canonical SMILES for N-(6-methylsulfanylhexylidene)hydroxylamine is CSCCCCCC=NO.
What is the InChIKey of N-(6-methylsulfanylhexylidene)hydroxylamine?
The InChIKey is OKKDZUZMZMLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10-7-5-3-2-4-6-8-9/h6,9H,2-5,7H2,1H3.
What are the key properties of N-(6-methylsulfanylhexylidene)hydroxylamine?
N-(6-methylsulfanylhexylidene)hydroxylamine has a molecular weight of 161.27 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylhexylidene)hydroxylamine is sourced from PubChem (CID 74388161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).