3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide

C14H23N3O2S — CID 106840059

IUPAC3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
SMILESCC(O)C1CCN(c2cc(N)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C14H23N3O2S/c1-9(18)10-4-6-17(7-5-10)12-8-11(15)13(20-12)14(19)16(2)3/h8-10,18H,4-7,15H2,1-3H3
InChIKeyWLWAWEDAUMFKQS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide

3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 106840059) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
PubChem CID106840059
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
SMILESCC(O)C1CCN(c2cc(N)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C14H23N3O2S/c1-9(18)10-4-6-17(7-5-10)12-8-11(15)13(20-12)14(19)16(2)3/h8-10,18H,4-7,15H2,1-3H3
InChIKeyWLWAWEDAUMFKQS-UHFFFAOYSA-N
XLogP1.63
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507507
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506581
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421975
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide (CID 106840059) is 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide is CC(O)C1CCN(c2cc(N)c(C(=O)N(C)C)s2)CC1.
What is the InChIKey of 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is WLWAWEDAUMFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(18)10-4-6-17(7-5-10)12-8-11(15)13(20-12)14(19)16(2)3/h8-10,18H,4-7,15H2,1-3H3.
What are the key properties of 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 106840059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).