[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone

C11H14F2N2O2S — CID 119413525

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
SMILESCc1cc(OC(F)F)c(C(=O)N2CC[C@@H](N)C2)s1
InChIInChI=1S/C11H14F2N2O2S/c1-6-4-8(17-11(12)13)9(18-6)10(16)15-3-2-7(14)5-15/h4,7,11H,2-3,5,14H2,1H3/t7-/m1/s1
InChIKeyFUIUIWXIAHXMMD-SSDOTTSWSA-N
MW276.31 g/mol
LogP1.83
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone (PubChem CID 119413525) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
PubChem CID119413525
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
SMILESCc1cc(OC(F)F)c(C(=O)N2CC[C@@H](N)C2)s1
InChIInChI=1S/C11H14F2N2O2S/c1-6-4-8(17-11(12)13)9(18-6)10(16)15-3-2-7(14)5-15/h4,7,11H,2-3,5,14H2,1H3/t7-/m1/s1
InChIKeyFUIUIWXIAHXMMD-SSDOTTSWSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone (CID 119413525) is [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone is Cc1cc(OC(F)F)c(C(=O)N2CC[C@@H](N)C2)s1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
The InChIKey is FUIUIWXIAHXMMD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-6-4-8(17-11(12)13)9(18-6)10(16)15-3-2-7(14)5-15/h4,7,11H,2-3,5,14H2,1H3/t7-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone has a molecular weight of 276.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone is sourced from PubChem (CID 119413525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).