ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine

C16H26FNOS — CID 143743952

IUPACethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine
SMILESC=C(NO)C(CCCC)Sc1ccc(F)c(C)c1.CC
InChIInChI=1S/C14H20FNOS.C2H6/c1-4-5-6-14(11(3)16-17)18-12-7-8-13(15)10(2)9-12;1-2/h7-9,14,16-17H,3-6H2,1-2H3;1-2H3
InChIKeyWHMHZTAGVKXNSC-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.30
Rot. Bonds7

About ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine

ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine (PubChem CID 143743952) has the molecular formula C16H26FNOS and a molecular weight of 299.46 g/mol. Its IUPAC name is ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound Nameethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine
PubChem CID143743952
Molecular FormulaC16H26FNOS
Molecular Weight299.46 g/mol
Exact Mass299.17
IUPAC Nameethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine
SMILESC=C(NO)C(CCCC)Sc1ccc(F)c(C)c1.CC
InChIInChI=1S/C14H20FNOS.C2H6/c1-4-5-6-14(11(3)16-17)18-12-7-8-13(15)10(2)9-12;1-2/h7-9,14,16-17H,3-6H2,1-2H3;1-2H3
InChIKeyWHMHZTAGVKXNSC-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3,4-difluorophenyl)sulfanylhexanoate
CID 112692873
ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
CID 142361482
1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
CID 146003506
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
(4-fluoro-3-methylphenyl)sulfanylmethanethiol
CID 117033691
2-naphthalen-2-ylsulfanylhexanoic acid
CID 113373513
(2S)-2-[(4-fluoro-3-methylphenyl)methyl]hexanoic acid
CID 159645635
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
(4-fluoro-3-methylphenyl)sulfanylhydrazine
CID 117036003

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine?
The IUPAC name of ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine (CID 143743952) is ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine.
What is the SMILES notation for ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine?
The canonical SMILES for ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine is C=C(NO)C(CCCC)Sc1ccc(F)c(C)c1.CC.
What is the InChIKey of ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine?
The InChIKey is WHMHZTAGVKXNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS.C2H6/c1-4-5-6-14(11(3)16-17)18-12-7-8-13(15)10(2)9-12;1-2/h7-9,14,16-17H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine?
ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine has a molecular weight of 299.46 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(4-fluoro-3-methylphenyl)sulfanylhept-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 143743952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).