4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile

C14H19N3OS2 — CID 103507460

IUPAC4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile
SMILESCC1CN(c2sc(C(=O)C(C)C)c(N)c2C#N)CCS1
InChIInChI=1S/C14H19N3OS2/c1-8(2)12(18)13-11(16)10(6-15)14(20-13)17-4-5-19-9(3)7-17/h8-9H,4-5,7,16H2,1-3H3
InChIKeyMCISBUUPNPKUJH-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.98
Rot. Bonds3

About 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile

4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile (PubChem CID 103507460) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile
PubChem CID103507460
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile
SMILESCC1CN(c2sc(C(=O)C(C)C)c(N)c2C#N)CCS1
InChIInChI=1S/C14H19N3OS2/c1-8(2)12(18)13-11(16)10(6-15)14(20-13)17-4-5-19-9(3)7-17/h8-9H,4-5,7,16H2,1-3H3
InChIKeyMCISBUUPNPKUJH-UHFFFAOYSA-N
XLogP2.98
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663
4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103418768
4-amino-2-(3,3-dimethylpiperidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422565
dimethyl 3-amino-5-(2-methylthiomorpholin-4-yl)thiophene-2,4-dicarboxylate
CID 103507454
4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103509328
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
methyl 3-amino-4-methylsulfonyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxylate
CID 103507508
methyl 3-amino-4-cyano-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507257
methyl 3-amino-4-cyano-5-(2-methylmorpholin-4-yl)thiophene-2-carboxylate
CID 103419651
3-amino-4-cyano-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507262
3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507499
3-amino-N-cyclopropyl-4-methoxy-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507469

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile (CID 103507460) is 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile is CC1CN(c2sc(C(=O)C(C)C)c(N)c2C#N)CCS1.
What is the InChIKey of 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile?
The InChIKey is MCISBUUPNPKUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-8(2)12(18)13-11(16)10(6-15)14(20-13)17-4-5-19-9(3)7-17/h8-9H,4-5,7,16H2,1-3H3.
What are the key properties of 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile?
4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile has a molecular weight of 309.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 103507460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).