2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide

C13H21N3O2S2 — CID 53383659

IUPAC2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
SMILESCSCc1cc(C(=O)NCCN2CCOCC2)c(N)s1
InChIInChI=1S/C13H21N3O2S2/c1-19-9-10-8-11(12(14)20-10)13(17)15-2-3-16-4-6-18-7-5-16/h8H,2-7,9,14H2,1H3,(H,15,17)
InChIKeyKGJSXZOYPOFVFF-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide

2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide (PubChem CID 53383659) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
PubChem CID53383659
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
SMILESCSCc1cc(C(=O)NCCN2CCOCC2)c(N)s1
InChIInChI=1S/C13H21N3O2S2/c1-19-9-10-8-11(12(14)20-10)13(17)15-2-3-16-4-6-18-7-5-16/h8H,2-7,9,14H2,1H3,(H,15,17)
InChIKeyKGJSXZOYPOFVFF-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide (CID 53383659) is 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide is CSCc1cc(C(=O)NCCN2CCOCC2)c(N)s1.
What is the InChIKey of 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
The InChIKey is KGJSXZOYPOFVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-19-9-10-8-11(12(14)20-10)13(17)15-2-3-16-4-6-18-7-5-16/h8H,2-7,9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(methylsulfanylmethyl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 53383659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).