7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile

C13H9N3OS — CID 170949441

IUPAC7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(NSc3ccoc3)cccc12
InChIInChI=1S/C13H9N3OS/c14-6-9-7-15-13-11(9)2-1-3-12(13)16-18-10-4-5-17-8-10/h1-5,7-8,15-16H
InChIKeySVQNXJORTLSKCR-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.75
Rot. Bonds3

About 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile

7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile (PubChem CID 170949441) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile
PubChem CID170949441
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(NSc3ccoc3)cccc12
InChIInChI=1S/C13H9N3OS/c14-6-9-7-15-13-11(9)2-1-3-12(13)16-18-10-4-5-17-8-10/h1-5,7-8,15-16H
InChIKeySVQNXJORTLSKCR-UHFFFAOYSA-N
XLogP3.75
TPSA64.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-oxo-1,3-dihydroimidazol-4-yl)sulfanylamino]-1H-indole-3-carbonitrile
CID 177228471
ethane;7-[[5-(hydroxymethyl)thiophen-3-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 177228457
7-[[2-(fluoromethyl)-1,3-thiazol-5-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 170949823
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 171055447
N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
CID 170949418
7-methyl-1H-indole-3-carbonitrile
CID 34177049
7-[(4-cyanophenyl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 153329674
4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile
CID 139366487
N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
CID 171055469
4-methyl-7-(1,2-thiazol-4-ylsulfanylamino)-1H-indole-3-carbonitrile
CID 170949637
3-[(3-cyano-4-methyl-1H-indol-7-yl)amino]sulfanyl-N,N-dimethylbenzamide
CID 171804927
7-[(4-ethylphenyl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 142616692

Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile?
The IUPAC name of 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile (CID 170949441) is 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile?
The canonical SMILES for 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile is N#Cc1c[nH]c2c(NSc3ccoc3)cccc12.
What is the InChIKey of 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile?
The InChIKey is SVQNXJORTLSKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c14-6-9-7-15-13-11(9)2-1-3-12(13)16-18-10-4-5-17-8-10/h1-5,7-8,15-16H.
What are the key properties of 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile?
7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 170949441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).