1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone

C16H24N2O2S — CID 103505900

IUPAC1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CC3CCCC3C2)c(OC(C)C)c1N
InChIInChI=1S/C16H24N2O2S/c1-9(2)20-14-13(17)15(10(3)19)21-16(14)18-7-11-5-4-6-12(11)8-18/h9,11-12H,4-8,17H2,1-3H3
InChIKeyKKYXVIIMVOHKDS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.56
Rot. Bonds4

About 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone

1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone (PubChem CID 103505900) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone
PubChem CID103505900
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CC3CCCC3C2)c(OC(C)C)c1N
InChIInChI=1S/C16H24N2O2S/c1-9(2)20-14-13(17)15(10(3)19)21-16(14)18-7-11-5-4-6-12(11)8-18/h9,11-12H,4-8,17H2,1-3H3
InChIKeyKKYXVIIMVOHKDS-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422514
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-propan-2-yloxythiophene-2-carboxamide
CID 103419553
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
methyl 3-amino-4-propan-2-yloxy-5-(1,4-thiazepan-4-yl)thiophene-2-carboxylate
CID 103418052
1-[3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103422876
ethyl 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-methylsulfanylthiophene-2-carboxylate
CID 103505922
1-[3-amino-5-(1,4-diazepan-1-yl)-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103524860
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-5-propanoylthiophene-3-carboxamide
CID 103505880
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103505876

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone (CID 103505900) is 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone is CC(=O)c1sc(N2CC3CCCC3C2)c(OC(C)C)c1N.
What is the InChIKey of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone?
The InChIKey is KKYXVIIMVOHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-9(2)20-14-13(17)15(10(3)19)21-16(14)18-7-11-5-4-6-12(11)8-18/h9,11-12H,4-8,17H2,1-3H3.
What are the key properties of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone?
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone has a molecular weight of 308.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-propan-2-yloxythiophen-2-yl]ethanone is sourced from PubChem (CID 103505900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).