N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide

C17H23N3OS — CID 119941631

IUPACN-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCCn1ccc2cc(NC(=O)CC3CSCCN3)ccc21
InChIInChI=1S/C17H23N3OS/c1-2-7-20-8-5-13-10-14(3-4-16(13)20)19-17(21)11-15-12-22-9-6-18-15/h3-5,8,10,15,18H,2,6-7,9,11-12H2,1H3,(H,19,21)
InChIKeyIUKSFYKAKQYKIA-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.08
Rot. Bonds5

About N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide

N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119941631) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119941631
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCCn1ccc2cc(NC(=O)CC3CSCCN3)ccc21
InChIInChI=1S/C17H23N3OS/c1-2-7-20-8-5-13-10-14(3-4-16(13)20)19-17(21)11-15-12-22-9-6-18-15/h3-5,8,10,15,18H,2,6-7,9,11-12H2,1H3,(H,19,21)
InChIKeyIUKSFYKAKQYKIA-UHFFFAOYSA-N
XLogP3.08
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66421642
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide
CID 119938369
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119940745
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026

Frequently Asked Questions

What is the IUPAC name of N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide (CID 119941631) is N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide is CCCn1ccc2cc(NC(=O)CC3CSCCN3)ccc21.
What is the InChIKey of N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is IUKSFYKAKQYKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-7-20-8-5-13-10-14(3-4-16(13)20)19-17(21)11-15-12-22-9-6-18-15/h3-5,8,10,15,18H,2,6-7,9,11-12H2,1H3,(H,19,21).
What are the key properties of N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 317.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).