(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone

C11H15NO2S2 — CID 103417487

IUPAC(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
SMILESCCSc1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C11H15NO2S2/c1-3-15-11-9(14-2)7(12)10(16-11)8(13)6-4-5-6/h6H,3-5,12H2,1-2H3
InChIKeyKYCNBTFEHHBAGY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.04
Rot. Bonds5

About (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone

(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone (PubChem CID 103417487) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
PubChem CID103417487
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
SMILESCCSc1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C11H15NO2S2/c1-3-15-11-9(14-2)7(12)10(16-11)8(13)6-4-5-6/h6H,3-5,12H2,1-2H3
InChIKeyKYCNBTFEHHBAGY-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone?
The IUPAC name of (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone (CID 103417487) is (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone is CCSc1sc(C(=O)C2CC2)c(N)c1OC.
What is the InChIKey of (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone?
The InChIKey is KYCNBTFEHHBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-3-15-11-9(14-2)7(12)10(16-11)8(13)6-4-5-6/h6H,3-5,12H2,1-2H3.
What are the key properties of (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone?
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone has a molecular weight of 257.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 103417487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).