3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide

C12H19N3O2S2 — CID 103509324

IUPAC3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCOC(C)(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2S2/c1-12(2)6-15(4-5-17-12)11-9(18-3)7(13)8(19-11)10(14)16/h4-6,13H2,1-3H3,(H2,14,16)
InChIKeyXKFMVXNIIUAJFP-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103509324) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103509324
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCOC(C)(C)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2S2/c1-12(2)6-15(4-5-17-12)11-9(18-3)7(13)8(19-11)10(14)16/h4-6,13H2,1-3H3,(H2,14,16)
InChIKeyXKFMVXNIIUAJFP-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103509324) is 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N2CCOC(C)(C)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is XKFMVXNIIUAJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-12(2)6-15(4-5-17-12)11-9(18-3)7(13)8(19-11)10(14)16/h4-6,13H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-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-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103509324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).