3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

C15H23N3O2S — CID 103417550

IUPAC3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCC(O)C2)c(C2CC2)c1N
InChIInChI=1S/C15H23N3O2S/c1-17(2)14(20)13-12(16)11(9-5-6-9)15(21-13)18-7-3-4-10(19)8-18/h9-10,19H,3-8,16H2,1-2H3
InChIKeyIWYHUFWBSRVXMD-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103417550) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103417550
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCC(O)C2)c(C2CC2)c1N
InChIInChI=1S/C15H23N3O2S/c1-17(2)14(20)13-12(16)11(9-5-6-9)15(21-13)18-7-3-4-10(19)8-18/h9-10,19H,3-8,16H2,1-2H3
InChIKeyIWYHUFWBSRVXMD-UHFFFAOYSA-N
XLogP1.87
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583
3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506105
1-[3-amino-4-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103421603
3-amino-5-(3-hydroxypyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421577
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103419841
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
3-amino-5-(3-hydroxypiperidin-1-yl)-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103417570

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (CID 103417550) is 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(N2CCCC(O)C2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is IWYHUFWBSRVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17(2)14(20)13-12(16)11(9-5-6-9)15(21-13)18-7-3-4-10(19)8-18/h9-10,19H,3-8,16H2,1-2H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103417550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).