N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide

C8H13NO3S2 — CID 71804766

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESCOC(CNS(C)(=O)=O)c1ccsc1
InChIInChI=1S/C8H13NO3S2/c1-12-8(5-9-14(2,10)11)7-3-4-13-6-7/h3-4,6,8-9H,5H2,1-2H3
InChIKeyGTAXFNYYXUFZSJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds5

About N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide

N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 71804766) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID71804766
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESCOC(CNS(C)(=O)=O)c1ccsc1
InChIInChI=1S/C8H13NO3S2/c1-12-8(5-9-14(2,10)11)7-3-4-13-6-7/h3-4,6,8-9H,5H2,1-2H3
InChIKeyGTAXFNYYXUFZSJ-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide (CID 71804766) is N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide is COC(CNS(C)(=O)=O)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is GTAXFNYYXUFZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-12-8(5-9-14(2,10)11)7-3-4-13-6-7/h3-4,6,8-9H,5H2,1-2H3.
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 71804766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).