3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide

C12H19N3O2S2 — CID 103506664

IUPAC3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCSC(C)(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2S2/c1-12(2)6-15(4-5-18-12)11-8(17-3)7(13)9(19-11)10(14)16/h4-6,13H2,1-3H3,(H2,14,16)
InChIKeyQWUNVZUMQIDZKU-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide

3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103506664) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103506664
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCSC(C)(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2S2/c1-12(2)6-15(4-5-18-12)11-8(17-3)7(13)9(19-11)10(14)16/h4-6,13H2,1-3H3,(H2,14,16)
InChIKeyQWUNVZUMQIDZKU-UHFFFAOYSA-N
XLogP1.77
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506662
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
5-acetyl-4-amino-2-(2,2-dimethylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103506654
1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
4-amino-2-(2,2-dimethylthiomorpholin-4-yl)-5-propanoylthiophene-3-carbonitrile
CID 103506670
3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide
CID 103420038
3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103506647
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
CID 103505458

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide (CID 103506664) is 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide is COc1c(N2CCSC(C)(C)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is QWUNVZUMQIDZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-12(2)6-15(4-5-18-12)11-8(17-3)7(13)9(19-11)10(14)16/h4-6,13H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 301.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103506664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).