N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide

C17H23N3OS — CID 119937973

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1[nH]c2ccc(CNC(=O)CC3CSCCN3)cc2c1C
InChIInChI=1S/C17H23N3OS/c1-11-12(2)20-16-4-3-13(7-15(11)16)9-19-17(21)8-14-10-22-6-5-18-14/h3-4,7,14,18,20H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyQPBZSYSLOCHIDG-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.50
Rot. Bonds4

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937973) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937973
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1[nH]c2ccc(CNC(=O)CC3CSCCN3)cc2c1C
InChIInChI=1S/C17H23N3OS/c1-11-12(2)20-16-4-3-13(7-15(11)16)9-19-17(21)8-14-10-22-6-5-18-14/h3-4,7,14,18,20H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyQPBZSYSLOCHIDG-UHFFFAOYSA-N
XLogP2.50
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938758
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941144
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 26406442

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119937973) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1[nH]c2ccc(CNC(=O)CC3CSCCN3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QPBZSYSLOCHIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11-12(2)20-16-4-3-13(7-15(11)16)9-19-17(21)8-14-10-22-6-5-18-14/h3-4,7,14,18,20H,5-6,8-10H2,1-2H3,(H,19,21).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 317.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).