2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine

C13H21NO3S — CID 64673498

IUPAC2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C13H21NO3S/c1-5-11(14-3)10(2)18(15,16)13-9-7-6-8-12(13)17-4/h6-11,14H,5H2,1-4H3
InChIKeyUOOIBQBRWUNLKO-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.86
Rot. Bonds6

About 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine

2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine (PubChem CID 64673498) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine
PubChem CID64673498
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C13H21NO3S/c1-5-11(14-3)10(2)18(15,16)13-9-7-6-8-12(13)17-4/h6-11,14H,5H2,1-4H3
InChIKeyUOOIBQBRWUNLKO-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)sulfonylbutan-1-amine
CID 64698684
3-(2-methoxyphenyl)sulfonylbutan-2-one
CID 64637155
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
CID 115040041
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-(2-methoxyphenyl)sulfonylpentanoic acid
CID 83037663
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine (CID 64673498) is 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine is CCC(NC)C(C)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine?
The InChIKey is UOOIBQBRWUNLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-11(14-3)10(2)18(15,16)13-9-7-6-8-12(13)17-4/h6-11,14H,5H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine?
2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine has a molecular weight of 271.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonyl-N-methylpentan-3-amine is sourced from PubChem (CID 64673498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).