N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide

C16H23N3OS — CID 82896756

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)C1CSCCN1
InChIInChI=1S/C16H23N3OS/c20-16(14-12-21-11-8-17-14)18-7-3-9-19-10-6-13-4-1-2-5-15(13)19/h1-2,4-5,14,17H,3,6-12H2,(H,18,20)
InChIKeyQRCXBWMWETXVRT-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.26
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide

N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide (PubChem CID 82896756) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
PubChem CID82896756
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)C1CSCCN1
InChIInChI=1S/C16H23N3OS/c20-16(14-12-21-11-8-17-14)18-7-3-9-19-10-6-13-4-1-2-5-15(13)19/h1-2,4-5,14,17H,3,6-12H2,(H,18,20)
InChIKeyQRCXBWMWETXVRT-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 102560490
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide (CID 82896756) is N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide is O=C(NCCCN1CCc2ccccc21)C1CSCCN1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide?
The InChIKey is QRCXBWMWETXVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-16(14-12-21-11-8-17-14)18-7-3-9-19-10-6-13-4-1-2-5-15(13)19/h1-2,4-5,14,17H,3,6-12H2,(H,18,20).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82896756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).