2-(2-methoxyphenyl)sulfonylbutan-1-amine

C11H17NO3S — CID 64698684

IUPAC2-(2-methoxyphenyl)sulfonylbutan-1-amine
SMILESCCC(CN)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H17NO3S/c1-3-9(8-12)16(13,14)11-7-5-4-6-10(11)15-2/h4-7,9H,3,8,12H2,1-2H3
InChIKeyIKMLWNZMIRTMLT-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.21
Rot. Bonds5

About 2-(2-methoxyphenyl)sulfonylbutan-1-amine

2-(2-methoxyphenyl)sulfonylbutan-1-amine (PubChem CID 64698684) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonylbutan-1-amine
PubChem CID64698684
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(2-methoxyphenyl)sulfonylbutan-1-amine
SMILESCCC(CN)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H17NO3S/c1-3-9(8-12)16(13,14)11-7-5-4-6-10(11)15-2/h4-7,9H,3,8,12H2,1-2H3
InChIKeyIKMLWNZMIRTMLT-UHFFFAOYSA-N
XLogP1.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfonylbutan-1-amine
CID 64699189
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2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine
CID 64673498
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
CID 115040041
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
3-(2-methoxyphenyl)sulfonylbutan-2-one
CID 64637155
2-(2-methoxyphenyl)sulfonylpentanoic acid
CID 83037663
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonylbutan-1-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfonylbutan-1-amine (CID 64698684) is 2-(2-methoxyphenyl)sulfonylbutan-1-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonylbutan-1-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonylbutan-1-amine is CCC(CN)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonylbutan-1-amine?
The InChIKey is IKMLWNZMIRTMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-9(8-12)16(13,14)11-7-5-4-6-10(11)15-2/h4-7,9H,3,8,12H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonylbutan-1-amine?
2-(2-methoxyphenyl)sulfonylbutan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonylbutan-1-amine is sourced from PubChem (CID 64698684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).