(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate

C14H11N3O2S — CID 68808250

IUPAC(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2ccccc2c1Sc1ccccn1
InChIInChI=1S/C14H11N3O2S/c15-14(18)19-13-12(20-11-7-3-4-8-16-11)9-5-1-2-6-10(9)17-13/h1-8,17H,(H2,15,18)
InChIKeyOMKQQRCMLBQPLH-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.17
Rot. Bonds3

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

(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate (PubChem CID 68808250) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate.

Molecular Properties

Compound Name(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate
PubChem CID68808250
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2ccccc2c1Sc1ccccn1
InChIInChI=1S/C14H11N3O2S/c15-14(18)19-13-12(20-11-7-3-4-8-16-11)9-5-1-2-6-10(9)17-13/h1-8,17H,(H2,15,18)
InChIKeyOMKQQRCMLBQPLH-UHFFFAOYSA-N
XLogP3.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate?
The IUPAC name of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate (CID 68808250) is (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate.
What is the SMILES notation for (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate?
The canonical SMILES for (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate is NC(=O)Oc1[nH]c2ccccc2c1Sc1ccccn1.
What is the InChIKey of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate?
The InChIKey is OMKQQRCMLBQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-14(18)19-13-12(20-11-7-3-4-8-16-11)9-5-1-2-6-10(9)17-13/h1-8,17H,(H2,15,18).
What are the key properties of (3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate?
(3-pyridin-2-ylsulfanyl-1H-indol-2-yl) carbamate has a molecular weight of 285.33 g/mol, XLogP of 3.17, 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) carbamate is sourced from PubChem (CID 68808250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).