4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile

C14H17N3O2S — CID 103417512

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCC(O)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C14H17N3O2S/c15-6-10-11(16)13(12(19)8-3-4-8)20-14(10)17-5-1-2-9(18)7-17/h8-9,18H,1-5,7,16H2
InChIKeyUERNZFFPLBOXHW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds3

About 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile

4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile (PubChem CID 103417512) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile
PubChem CID103417512
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCC(O)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C14H17N3O2S/c15-6-10-11(16)13(12(19)8-3-4-8)20-14(10)17-5-1-2-9(18)7-17/h8-9,18H,1-5,7,16H2
InChIKeyUERNZFFPLBOXHW-UHFFFAOYSA-N
XLogP1.76
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile (CID 103417512) is 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile is N#Cc1c(N2CCCC(O)C2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile?
The InChIKey is UERNZFFPLBOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-6-10-11(16)13(12(19)8-3-4-8)20-14(10)17-5-1-2-9(18)7-17/h8-9,18H,1-5,7,16H2.
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile?
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile has a molecular weight of 291.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 103417512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).