N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide

C11H17NO3S2 — CID 90598457

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide
SMILESCOC(CNS(=O)(=O)C1CC1)c1ccc(C)s1
InChIInChI=1S/C11H17NO3S2/c1-8-3-6-11(16-8)10(15-2)7-12-17(13,14)9-4-5-9/h3,6,9-10,12H,4-5,7H2,1-2H3
InChIKeyBARVZSAPMWAVCZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.83
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide (PubChem CID 90598457) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide
PubChem CID90598457
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide
SMILESCOC(CNS(=O)(=O)C1CC1)c1ccc(C)s1
InChIInChI=1S/C11H17NO3S2/c1-8-3-6-11(16-8)10(15-2)7-12-17(13,14)9-4-5-9/h3,6,9-10,12H,4-5,7H2,1-2H3
InChIKeyBARVZSAPMWAVCZ-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.83
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-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide (CID 90598457) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide is COC(CNS(=O)(=O)C1CC1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is BARVZSAPMWAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-8-3-6-11(16-8)10(15-2)7-12-17(13,14)9-4-5-9/h3,6,9-10,12H,4-5,7H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 90598457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).