N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide

C14H17N3OS — CID 66422272

IUPACN-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17N3OS/c18-14(8-12-9-19-6-5-15-12)17-11-1-2-13-10(7-11)3-4-16-13/h1-4,7,12,15-16H,5-6,8-9H2,(H,17,18)
InChIKeyDNQYIORHOXCDPP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.20
Rot. Bonds3

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

N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422272) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422272
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17N3OS/c18-14(8-12-9-19-6-5-15-12)17-11-1-2-13-10(7-11)3-4-16-13/h1-4,7,12,15-16H,5-6,8-9H2,(H,17,18)
InChIKeyDNQYIORHOXCDPP-UHFFFAOYSA-N
XLogP2.20
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
CID 80518373
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 66420640
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 119941631

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide (CID 66422272) is N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is DNQYIORHOXCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(8-12-9-19-6-5-15-12)17-11-1-2-13-10(7-11)3-4-16-13/h1-4,7,12,15-16H,5-6,8-9H2,(H,17,18).
What are the key properties of N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide?
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).