(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane

C10H14BrNO2S — CID 131493144

IUPAC(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(c1cc(Br)ccc1OC)C(C)C
InChIInChI=1S/C10H14BrNO2S/c1-7(2)15(12,13)10-6-8(11)4-5-9(10)14-3/h4-7,12H,1-3H3
InChIKeyOXTNKSDAHKMEOH-UHFFFAOYSA-N
MW292.20 g/mol
LogP3.27
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane

(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane (PubChem CID 131493144) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane
PubChem CID131493144
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(c1cc(Br)ccc1OC)C(C)C
InChIInChI=1S/C10H14BrNO2S/c1-7(2)15(12,13)10-6-8(11)4-5-9(10)14-3/h4-7,12H,1-3H3
InChIKeyOXTNKSDAHKMEOH-UHFFFAOYSA-N
XLogP3.27
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
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1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
CID 165437914
5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
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5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
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CID 133199241

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane (CID 131493144) is (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane is [H]N=S(=O)(c1cc(Br)ccc1OC)C(C)C.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is OXTNKSDAHKMEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-7(2)15(12,13)10-6-8(11)4-5-9(10)14-3/h4-7,12H,1-3H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane?
(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 292.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 131493144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).