[7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol

C13H12N2O2S2 — CID 143310594

IUPAC[7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol
SMILESOCc1cc2cccc(NSOc3cccs3)c2[nH]1
InChIInChI=1S/C13H12N2O2S2/c16-8-10-7-9-3-1-4-11(13(9)14-10)15-19-17-12-5-2-6-18-12/h1-7,14-16H,8H2
InChIKeyCHGWQIKZPFKDJD-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.78
Rot. Bonds5

About [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol

[7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol (PubChem CID 143310594) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol
PubChem CID143310594
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name[7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol
SMILESOCc1cc2cccc(NSOc3cccs3)c2[nH]1
InChIInChI=1S/C13H12N2O2S2/c16-8-10-7-9-3-1-4-11(13(9)14-10)15-19-17-12-5-2-6-18-12/h1-7,14-16H,8H2
InChIKeyCHGWQIKZPFKDJD-UHFFFAOYSA-N
XLogP3.78
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[7-(aminomethyl)-1H-indol-2-yl]methanol
CID 117183472
(7-ethyl-1H-indol-2-yl)methanol
CID 84817992
7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
CID 126635122
2-(4,5-dihydro-1,3-thiazol-2-yl)-N-thiophen-2-ylsulfanyl-1H-indol-7-amine
CID 126635023
2-(aminomethyl)-1H-indol-7-ol
CID 82596264
[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
CID 126635131
7-N-(1-aminoethenyl)-1H-indole-2,7-diamine
CID 143106569
3-thiophen-2-yloxypropane-1,2-diol
CID 13088133
4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
CID 117183729
N-[2-(7-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10704742
2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
CID 117183677
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370

Frequently Asked Questions

What is the IUPAC name of [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol?
The IUPAC name of [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol (CID 143310594) is [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol.
What is the SMILES notation for [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol?
The canonical SMILES for [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol is OCc1cc2cccc(NSOc3cccs3)c2[nH]1.
What is the InChIKey of [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol?
The InChIKey is CHGWQIKZPFKDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c16-8-10-7-9-3-1-4-11(13(9)14-10)15-19-17-12-5-2-6-18-12/h1-7,14-16H,8H2.
What are the key properties of [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol?
[7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol has a molecular weight of 292.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(thiophen-2-yloxysulfanylamino)-1H-indol-2-yl]methanol is sourced from PubChem (CID 143310594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).