N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide

C12H19NO3S — CID 47319168

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
SMILESCC(C)Oc1ccc(C(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-9(2)16-12-7-5-11(6-8-12)10(3)13-17(4,14)15/h5-10,13H,1-4H3
InChIKeyFNPFMJMSTMPHJS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.08
Rot. Bonds5

About N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide

N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide (PubChem CID 47319168) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
PubChem CID47319168
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
SMILESCC(C)Oc1ccc(C(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-9(2)16-12-7-5-11(6-8-12)10(3)13-17(4,14)15/h5-10,13H,1-4H3
InChIKeyFNPFMJMSTMPHJS-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
CID 86691231
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide (CID 47319168) is N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide is CC(C)Oc1ccc(C(C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide?
The InChIKey is FNPFMJMSTMPHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(2)16-12-7-5-11(6-8-12)10(3)13-17(4,14)15/h5-10,13H,1-4H3.
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide?
N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 47319168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).