N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide

C13H21NO3S — CID 71909482

IUPACN-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cccc(OC(C)C)c1
InChIInChI=1S/C13H21NO3S/c1-5-18(15,16)14(4)10-12-7-6-8-13(9-12)17-11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyYGMXYJPCSYRGSL-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide

N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide (PubChem CID 71909482) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide
PubChem CID71909482
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cccc(OC(C)C)c1
InChIInChI=1S/C13H21NO3S/c1-5-18(15,16)14(4)10-12-7-6-8-13(9-12)17-11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyYGMXYJPCSYRGSL-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide (CID 71909482) is N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)N(C)Cc1cccc(OC(C)C)c1.
What is the InChIKey of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide?
The InChIKey is YGMXYJPCSYRGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-18(15,16)14(4)10-12-7-6-8-13(9-12)17-11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide?
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 71909482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).