3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide

C12H19N3OS2 — CID 103507507

IUPAC3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
SMILESCC1CN(c2cc(N)c(C(=O)N(C)C)s2)CCS1
InChIInChI=1S/C12H19N3OS2/c1-8-7-15(4-5-17-8)10-6-9(13)11(18-10)12(16)14(2)3/h6,8H,4-5,7,13H2,1-3H3
InChIKeyVIXSVFROSABBEW-UHFFFAOYSA-N
MW285.44 g/mol
LogP1.97
Rot. Bonds2

About 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide

3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide (PubChem CID 103507507) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
PubChem CID103507507
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
SMILESCC1CN(c2cc(N)c(C(=O)N(C)C)s2)CCS1
InChIInChI=1S/C12H19N3OS2/c1-8-7-15(4-5-17-8)10-6-9(13)11(18-10)12(16)14(2)3/h6,8H,4-5,7,13H2,1-3H3
InChIKeyVIXSVFROSABBEW-UHFFFAOYSA-N
XLogP1.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
CID 106840059
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506581
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421975
3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526087
dimethyl 3-amino-5-(2-methylthiomorpholin-4-yl)thiophene-2,4-dicarboxylate
CID 103507454
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103418556
3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507270
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
CID 103507702
1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419290

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide (CID 103507507) is 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide is CC1CN(c2cc(N)c(C(=O)N(C)C)s2)CCS1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
The InChIKey is VIXSVFROSABBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-8-7-15(4-5-17-8)10-6-9(13)11(18-10)12(16)14(2)3/h6,8H,4-5,7,13H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide has a molecular weight of 285.44 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103507507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).