3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile

C12H17N3O2S — CID 103507576

IUPAC3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
SMILESCOc1c(N2CCCC(OC)C2)sc(C#N)c1N
InChIInChI=1S/C12H17N3O2S/c1-16-8-4-3-5-15(7-8)12-11(17-2)10(14)9(6-13)18-12/h8H,3-5,7,14H2,1-2H3
InChIKeyFFJZKRCMVZNLAP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile

3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile (PubChem CID 103507576) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
PubChem CID103507576
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
SMILESCOc1c(N2CCCC(OC)C2)sc(C#N)c1N
InChIInChI=1S/C12H17N3O2S/c1-16-8-4-3-5-15(7-8)12-11(17-2)10(14)9(6-13)18-12/h8H,3-5,7,14H2,1-2H3
InChIKeyFFJZKRCMVZNLAP-UHFFFAOYSA-N
XLogP1.83
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile (CID 103507576) is 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile is COc1c(N2CCCC(OC)C2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile?
The InChIKey is FFJZKRCMVZNLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-16-8-4-3-5-15(7-8)12-11(17-2)10(14)9(6-13)18-12/h8H,3-5,7,14H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile?
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile has a molecular weight of 267.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103507576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).