1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone

C16H26N2O2S — CID 103422514

IUPAC1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCCC(C)(C)C2)c(OC(C)C)c1N
InChIInChI=1S/C16H26N2O2S/c1-10(2)20-13-12(17)14(11(3)19)21-15(13)18-8-6-7-16(4,5)9-18/h10H,6-9,17H2,1-5H3
InChIKeyDEPYHULNMQPSCL-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.95
Rot. Bonds4

About 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone

1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone (PubChem CID 103422514) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
PubChem CID103422514
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCCC(C)(C)C2)c(OC(C)C)c1N
InChIInChI=1S/C16H26N2O2S/c1-10(2)20-13-12(17)14(11(3)19)21-15(13)18-8-6-7-16(4,5)9-18/h10H,6-9,17H2,1-5H3
InChIKeyDEPYHULNMQPSCL-UHFFFAOYSA-N
XLogP3.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone (CID 103422514) is 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone is CC(=O)c1sc(N2CCCC(C)(C)C2)c(OC(C)C)c1N.
What is the InChIKey of 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone?
The InChIKey is DEPYHULNMQPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10(2)20-13-12(17)14(11(3)19)21-15(13)18-8-6-7-16(4,5)9-18/h10H,6-9,17H2,1-5H3.
What are the key properties of 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone?
1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone has a molecular weight of 310.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone is sourced from PubChem (CID 103422514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).