2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine

C16H24N2OS — CID 64509072

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine
SMILESCC1(C)Cc2cccc(C(CN)N3CCSCC3)c2O1
InChIInChI=1S/C16H24N2OS/c1-16(2)10-12-4-3-5-13(15(12)19-16)14(11-17)18-6-8-20-9-7-18/h3-5,14H,6-11,17H2,1-2H3
InChIKeyQRDWPKRSFADPHA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.45
Rot. Bonds3

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine (PubChem CID 64509072) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine
PubChem CID64509072
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine
SMILESCC1(C)Cc2cccc(C(CN)N3CCSCC3)c2O1
InChIInChI=1S/C16H24N2OS/c1-16(2)10-12-4-3-5-13(15(12)19-16)14(11-17)18-6-8-20-9-7-18/h3-5,14H,6-11,17H2,1-2H3
InChIKeyQRDWPKRSFADPHA-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine (CID 64509072) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine is CC1(C)Cc2cccc(C(CN)N3CCSCC3)c2O1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is QRDWPKRSFADPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2)10-12-4-3-5-13(15(12)19-16)14(11-17)18-6-8-20-9-7-18/h3-5,14H,6-11,17H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 292.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 64509072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).