4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine

C18H20N2OS — CID 696739

IUPAC4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
SMILESCc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H20N2OS/c1-13-17(14-5-2-3-6-15(14)19-13)18(16-7-4-12-22-16)20-8-10-21-11-9-20/h2-7,12,18-19H,8-11H2,1H3/t18-/m1/s1
InChIKeyMEHVBJAOPKFSFL-GOSISDBHSA-N
MW312.44 g/mol
LogP3.96
Rot. Bonds3

About 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine

4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine (PubChem CID 696739) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
PubChem CID696739
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
SMILESCc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H20N2OS/c1-13-17(14-5-2-3-6-15(14)19-13)18(16-7-4-12-22-16)20-8-10-21-11-9-20/h2-7,12,18-19H,8-11H2,1H3/t18-/m1/s1
InChIKeyMEHVBJAOPKFSFL-GOSISDBHSA-N
XLogP3.96
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(S)-(4-phenylpiperazin-1-yl)-thiophen-2-ylmethyl]-1H-indole
CID 1251311
4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
CID 729468
3-[[4-(4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-2-methyl-1H-indole
CID 4163029
4-[2-methyl-1-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 134844207
2-methyl-3-[(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]-1H-indole
CID 5013748
2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212
N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 17463435
ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
CID 71490363
3-[(4-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-2-methyl-1H-indole
CID 110453369
4-[(4-fluorophenyl)-(2-phenyl-1H-indol-3-yl)methyl]morpholine
CID 134467375
ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-carboxylate
CID 6988265
9H-carbazole;4-methylmorpholine
CID 175233361

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine?
The IUPAC name of 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine (CID 696739) is 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine?
The canonical SMILES for 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine is Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine?
The InChIKey is MEHVBJAOPKFSFL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13-17(14-5-2-3-6-15(14)19-13)18(16-7-4-12-22-16)20-8-10-21-11-9-20/h2-7,12,18-19H,8-11H2,1H3/t18-/m1/s1.
What are the key properties of 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine?
4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine has a molecular weight of 312.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine is sourced from PubChem (CID 696739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).