N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide

C17H23N3OS — CID 52865783

IUPACN-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCSCC3)ccc21
InChIInChI=1S/C17H23N3OS/c1-13(2)12-20-6-5-14-11-15(3-4-16(14)20)18-17(21)19-7-9-22-10-8-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,21)
InChIKeyDZEWYWKMBBHEMH-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.88
Rot. Bonds3

About N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide

N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide (PubChem CID 52865783) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
PubChem CID52865783
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCSCC3)ccc21
InChIInChI=1S/C17H23N3OS/c1-13(2)12-20-6-5-14-11-15(3-4-16(14)20)18-17(21)19-7-9-22-10-8-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,21)
InChIKeyDZEWYWKMBBHEMH-UHFFFAOYSA-N
XLogP3.88
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
CID 56528070

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide (CID 52865783) is N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCSCC3)ccc21.
What is the InChIKey of N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide?
The InChIKey is DZEWYWKMBBHEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13(2)12-20-6-5-14-11-15(3-4-16(14)20)18-17(21)19-7-9-22-10-8-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide?
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 52865783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).