(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C10H14N2OS — CID 735029

IUPAC(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@@H]1CCCc2sc(N)c(C(N)=O)c21
InChIInChI=1S/C10H14N2OS/c1-5-3-2-4-6-7(5)8(9(11)13)10(12)14-6/h5H,2-4,12H2,1H3,(H2,11,13)/t5-/m1/s1
InChIKeyYUJDMCQEVFLVLZ-RXMQYKEDSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds1

About (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 735029) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID735029
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@@H]1CCCc2sc(N)c(C(N)=O)c21
InChIInChI=1S/C10H14N2OS/c1-5-3-2-4-6-7(5)8(9(11)13)10(12)14-6/h5H,2-4,12H2,1H3,(H2,11,13)/t5-/m1/s1
InChIKeyYUJDMCQEVFLVLZ-RXMQYKEDSA-N
XLogP1.87
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 735029) is (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C[C@@H]1CCCc2sc(N)c(C(N)=O)c21.
What is the InChIKey of (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is YUJDMCQEVFLVLZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-5-3-2-4-6-7(5)8(9(11)13)10(12)14-6/h5H,2-4,12H2,1H3,(H2,11,13)/t5-/m1/s1.
What are the key properties of (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 210.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 735029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).