N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine

C16H26N2O2S — CID 115900693

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCCN1CCc2ccccc21
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)13-14(2)17-10-6-11-18-12-9-15-7-4-5-8-16(15)18/h4-5,7-8,14,17H,3,6,9-13H2,1-2H3
InChIKeyJJCHKZYUEJMTNW-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.85
Rot. Bonds8

About N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 115900693) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
PubChem CID115900693
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCCN1CCc2ccccc21
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)13-14(2)17-10-6-11-18-12-9-15-7-4-5-8-16(15)18/h4-5,7-8,14,17H,3,6,9-13H2,1-2H3
InChIKeyJJCHKZYUEJMTNW-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
1-butyl-2,3-dihydroindole
CID 4167209
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55085162
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115708238
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441271
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine (CID 115900693) is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is JJCHKZYUEJMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-21(19,20)13-14(2)17-10-6-11-18-12-9-15-7-4-5-8-16(15)18/h4-5,7-8,14,17H,3,6,9-13H2,1-2H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 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]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115900693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).