1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one

C16H24N2O2S — CID 103542429

IUPAC1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCOC1CCN(c2sc(C(=O)C(C)C)c(N)c2C2CC2)C1
InChIInChI=1S/C16H24N2O2S/c1-9(2)14(19)15-13(17)12(10-4-5-10)16(21-15)18-7-6-11(8-18)20-3/h9-11H,4-8,17H2,1-3H3
InChIKeyXELYHJFIUDGPHH-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.27
Rot. Bonds5

About 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103542429) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103542429
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCOC1CCN(c2sc(C(=O)C(C)C)c(N)c2C2CC2)C1
InChIInChI=1S/C16H24N2O2S/c1-9(2)14(19)15-13(17)12(10-4-5-10)16(21-15)18-7-6-11(8-18)20-3/h9-11H,4-8,17H2,1-3H3
InChIKeyXELYHJFIUDGPHH-UHFFFAOYSA-N
XLogP3.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103421603
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103542403
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103542462
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422
ethyl 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103542466
3-amino-5-(3-methoxypyrrolidin-1-yl)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103542458
4-amino-2-(3-methoxypyrrolidin-1-yl)-5-propanoylthiophene-3-carbonitrile
CID 103542428
4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one (CID 103542429) is 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one is COC1CCN(c2sc(C(=O)C(C)C)c(N)c2C2CC2)C1.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is XELYHJFIUDGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-9(2)14(19)15-13(17)12(10-4-5-10)16(21-15)18-7-6-11(8-18)20-3/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 308.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103542429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).