3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide

C15H23N3OS2 — CID 103506647

IUPAC3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCSC(C)(C)C2)c(C2CC2)c1N
InChIInChI=1S/C15H23N3OS2/c1-15(2)8-18(6-7-20-15)14-10(9-4-5-9)11(16)12(21-14)13(19)17-3/h9H,4-8,16H2,1-3H3,(H,17,19)
InChIKeyUKEDTHOMZKBROX-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide (PubChem CID 103506647) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
PubChem CID103506647
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCSC(C)(C)C2)c(C2CC2)c1N
InChIInChI=1S/C15H23N3OS2/c1-15(2)8-18(6-7-20-15)14-10(9-4-5-9)11(16)12(21-14)13(19)17-3/h9H,4-8,16H2,1-3H3,(H,17,19)
InChIKeyUKEDTHOMZKBROX-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyclopropyl-5-(2,2-dimethylmorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103509349
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507499
3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103505577
[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506662
5-acetyl-4-amino-2-(2,2-dimethylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103506654
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506664
4-amino-2-(2,2-dimethylthiomorpholin-4-yl)-5-propanoylthiophene-3-carbonitrile
CID 103506670
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide (CID 103506647) is 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCSC(C)(C)C2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide?
The InChIKey is UKEDTHOMZKBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-15(2)8-18(6-7-20-15)14-10(9-4-5-9)11(16)12(21-14)13(19)17-3/h9H,4-8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103506647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).