(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C12H18N2O2S — CID 107390298

IUPAC(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2sccc2N)C1
InChIInChI=1S/C12H18N2O2S/c1-12(16-2)5-3-6-14(8-12)11(15)10-9(13)4-7-17-10/h4,7H,3,5-6,8,13H2,1-2H3
InChIKeyFPNWRZLQTMKFDP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.97
Rot. Bonds2

About (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107390298) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107390298
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2sccc2N)C1
InChIInChI=1S/C12H18N2O2S/c1-12(16-2)5-3-6-14(8-12)11(15)10-9(13)4-7-17-10/h4,7H,3,5-6,8,13H2,1-2H3
InChIKeyFPNWRZLQTMKFDP-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107390298) is (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2sccc2N)C1.
What is the InChIKey of (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is FPNWRZLQTMKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(16-2)5-3-6-14(8-12)11(15)10-9(13)4-7-17-10/h4,7H,3,5-6,8,13H2,1-2H3.
What are the key properties of (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 254.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107390298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).