2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine

C13H21N3S — CID 170221823

IUPAC2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
SMILESCC(CNSN(C)C)N1CCc2ccccc21
InChIInChI=1S/C13H21N3S/c1-11(10-14-17-15(2)3)16-9-8-12-6-4-5-7-13(12)16/h4-7,11,14H,8-10H2,1-3H3
InChIKeyQBUBPNKHRIAGGY-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.15
Rot. Bonds5

About 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine

2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine (PubChem CID 170221823) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
PubChem CID170221823
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
SMILESCC(CNSN(C)C)N1CCc2ccccc21
InChIInChI=1S/C13H21N3S/c1-11(10-14-17-15(2)3)16-9-8-12-6-4-5-7-13(12)16/h4-7,11,14H,8-10H2,1-3H3
InChIKeyQBUBPNKHRIAGGY-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851
(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
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
4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 32810633
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
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
CID 79414718
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine (CID 170221823) is 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine is CC(CNSN(C)C)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine?
The InChIKey is QBUBPNKHRIAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-11(10-14-17-15(2)3)16-9-8-12-6-4-5-7-13(12)16/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine?
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine is sourced from PubChem (CID 170221823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).