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

C15H22N2O2S — CID 103421603

IUPAC1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(N2CCC(O)C2)c(C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-8(2)13(19)14-12(16)11(9-3-4-9)15(20-14)17-6-5-10(18)7-17/h8-10,18H,3-7,16H2,1-2H3
InChIKeyUOGJZVRQGGIZDS-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.62
Rot. Bonds4

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

1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103421603) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103421603
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(N2CCC(O)C2)c(C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-8(2)13(19)14-12(16)11(9-3-4-9)15(20-14)17-6-5-10(18)7-17/h8-10,18H,3-7,16H2,1-2H3
InChIKeyUOGJZVRQGGIZDS-UHFFFAOYSA-N
XLogP2.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103542429
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663
3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417550
1-[3-amino-5-(3-hydroxypiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103417548
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
methyl 5-acetyl-4-amino-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carboxylate
CID 103421580
3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506105
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one (CID 103421603) is 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1sc(N2CCC(O)C2)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is UOGJZVRQGGIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-8(2)13(19)14-12(16)11(9-3-4-9)15(20-14)17-6-5-10(18)7-17/h8-10,18H,3-7,16H2,1-2H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103421603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).