3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide

C14H21N3OS2 — CID 103507499

IUPAC3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCSC(C)C2)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS2/c1-8-7-17(5-6-19-8)14-10(9-3-4-9)11(15)12(20-14)13(18)16-2/h8-9H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyALLCHWAJNXYVKJ-UHFFFAOYSA-N
MW311.48 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide

3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide (PubChem CID 103507499) has the molecular formula C14H21N3OS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
PubChem CID103507499
Molecular FormulaC14H21N3OS2
Molecular Weight311.48 g/mol
Exact Mass311.11
IUPAC Name3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCSC(C)C2)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS2/c1-8-7-17(5-6-19-8)14-10(9-3-4-9)11(15)12(20-14)13(18)16-2/h8-9H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyALLCHWAJNXYVKJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carboxylate
CID 103507480
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103506647
dimethyl 3-amino-5-(2-methylthiomorpholin-4-yl)thiophene-2,4-dicarboxylate
CID 103507454
1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
CID 103506478
3-amino-4-cyclopropyl-5-(2,2-dimethylmorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103509349
3-amino-N-cyclopropyl-4-methoxy-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507469
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
methyl 3-amino-4-methylsulfonyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxylate
CID 103507508
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467
4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103507460

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide (CID 103507499) is 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide is CNC(=O)c1sc(N2CCSC(C)C2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
The InChIKey is ALLCHWAJNXYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS2/c1-8-7-17(5-6-19-8)14-10(9-3-4-9)11(15)12(20-14)13(18)16-2/h8-9H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide has a molecular weight of 311.48 g/mol, XLogP of 2.51, 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-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103507499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).