N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine

C15H25NO3S — CID 161258286

IUPACN-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
SMILESCOc1ccccc1S(=O)(=O)CCCN(C)C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-15(2,3)16(4)11-8-12-20(17,18)14-10-7-6-9-13(14)19-5/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeyVCFJLGXLYHZEMR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.59
Rot. Bonds6

About N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine

N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine (PubChem CID 161258286) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
PubChem CID161258286
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
SMILESCOc1ccccc1S(=O)(=O)CCCN(C)C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-15(2,3)16(4)11-8-12-20(17,18)14-10-7-6-9-13(14)19-5/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeyVCFJLGXLYHZEMR-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-2-methoxybenzene
CID 12920561
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
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CID 61297989
N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine
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2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
CID 13153174
2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
CID 66474370
1-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2-methoxybenzene
CID 64998330
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 54916342
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine (CID 161258286) is N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine is COc1ccccc1S(=O)(=O)CCCN(C)C(C)(C)C.
What is the InChIKey of N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine?
The InChIKey is VCFJLGXLYHZEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-15(2,3)16(4)11-8-12-20(17,18)14-10-7-6-9-13(14)19-5/h6-7,9-10H,8,11-12H2,1-5H3.
What are the key properties of N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine?
N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 161258286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).