N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide

C16H25N3OS — CID 170221851

IUPACN-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
SMILESCC(CNS(=O)N1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C16H25N3OS/c1-14(13-17-21(20)18-10-5-2-6-11-18)19-12-9-15-7-3-4-8-16(15)19/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3
InChIKeyVYLASFQHRAITPX-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide

N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide (PubChem CID 170221851) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
PubChem CID170221851
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
SMILESCC(CNS(=O)N1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C16H25N3OS/c1-14(13-17-21(20)18-10-5-2-6-11-18)19-12-9-15-7-3-4-8-16(15)19/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3
InChIKeyVYLASFQHRAITPX-UHFFFAOYSA-N
XLogP2.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline
CID 176928043
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
CID 170221823
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-nitrobenzenesulfonamide
CID 112819151
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
CID 62557981
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
CID 79414718

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide (CID 170221851) is N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide is CC(CNS(=O)N1CCCCC1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide?
The InChIKey is VYLASFQHRAITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-14(13-17-21(20)18-10-5-2-6-11-18)19-12-9-15-7-3-4-8-16(15)19/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide?
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide has a molecular weight of 307.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide is sourced from PubChem (CID 170221851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).