3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide

C14H21N3O2S — CID 103506582

IUPAC3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCCC(C)(O)C2)cc1N
InChIInChI=1S/C14H21N3O2S/c1-3-6-16-13(18)12-10(15)8-11(20-12)17-7-4-5-14(2,19)9-17/h3,8,19H,1,4-7,9,15H2,2H3,(H,16,18)
InChIKeyNMYQEWFMLCLTIO-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103506582) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103506582
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCCC(C)(O)C2)cc1N
InChIInChI=1S/C14H21N3O2S/c1-3-6-16-13(18)12-10(15)8-11(20-12)17-7-4-5-14(2,19)9-17/h3,8,19H,1,4-7,9,15H2,2H3,(H,16,18)
InChIKeyNMYQEWFMLCLTIO-UHFFFAOYSA-N
XLogP1.60
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide (CID 103506582) is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N2CCCC(C)(O)C2)cc1N.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is NMYQEWFMLCLTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-6-16-13(18)12-10(15)8-11(20-12)17-7-4-5-14(2,19)9-17/h3,8,19H,1,4-7,9,15H2,2H3,(H,16,18).
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103506582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).