2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine

C20H24N4S — CID 166910876

IUPAC2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine
SMILESCN(C)SNCCc1cn(C2CC2)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C20H24N4S/c1-23(2)25-22-12-9-17-14-24(18-4-5-18)20-13-16(3-6-19(17)20)15-7-10-21-11-8-15/h3,6-8,10-11,13-14,18,22H,4-5,9,12H2,1-2H3
InChIKeyUSWRPDQUCVODLO-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.30
Rot. Bonds7

About 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine

2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine (PubChem CID 166910876) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine
PubChem CID166910876
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine
SMILESCN(C)SNCCc1cn(C2CC2)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C20H24N4S/c1-23(2)25-22-12-9-17-14-24(18-4-5-18)20-13-16(3-6-19(17)20)15-7-10-21-11-8-15/h3,6-8,10-11,13-14,18,22H,4-5,9,12H2,1-2H3
InChIKeyUSWRPDQUCVODLO-UHFFFAOYSA-N
XLogP4.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine?
The IUPAC name of 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine (CID 166910876) is 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine?
The canonical SMILES for 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine is CN(C)SNCCc1cn(C2CC2)c2cc(-c3ccncc3)ccc12.
What is the InChIKey of 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine?
The InChIKey is USWRPDQUCVODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-23(2)25-22-12-9-17-14-24(18-4-5-18)20-13-16(3-6-19(17)20)15-7-10-21-11-8-15/h3,6-8,10-11,13-14,18,22H,4-5,9,12H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine?
2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine has a molecular weight of 352.51 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine is sourced from PubChem (CID 166910876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).