(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate

C15H13N3O2S — CID 68808998

IUPAC(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1[nH]c2ccccc2c1Sc1ccccn1
InChIInChI=1S/C15H13N3O2S/c1-16-15(19)20-14-13(21-12-8-4-5-9-17-12)10-6-2-3-7-11(10)18-14/h2-9,18H,1H3,(H,16,19)
InChIKeyYFKRKRXLEZHEIZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.43
Rot. Bonds3

About (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate

(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate (PubChem CID 68808998) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate
PubChem CID68808998
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1[nH]c2ccccc2c1Sc1ccccn1
InChIInChI=1S/C15H13N3O2S/c1-16-15(19)20-14-13(21-12-8-4-5-9-17-12)10-6-2-3-7-11(10)18-14/h2-9,18H,1H3,(H,16,19)
InChIKeyYFKRKRXLEZHEIZ-UHFFFAOYSA-N
XLogP3.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate?
The IUPAC name of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate (CID 68808998) is (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate.
What is the SMILES notation for (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate?
The canonical SMILES for (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate is CNC(=O)Oc1[nH]c2ccccc2c1Sc1ccccn1.
What is the InChIKey of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate?
The InChIKey is YFKRKRXLEZHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-16-15(19)20-14-13(21-12-8-4-5-9-17-12)10-6-2-3-7-11(10)18-14/h2-9,18H,1H3,(H,16,19).
What are the key properties of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate?
(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate has a molecular weight of 299.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) N-methylcarbamate is sourced from PubChem (CID 68808998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).