7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid

C15H14N2O2S2 — CID 143310711

IUPAC7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid
SMILESCc1ccc(SN(C)c2cccc3cc(C(=O)O)[nH]c23)s1
InChIInChI=1S/C15H14N2O2S2/c1-9-6-7-13(20-9)21-17(2)12-5-3-4-10-8-11(15(18)19)16-14(10)12/h3-8,16H,1-2H3,(H,18,19)
InChIKeyULZLIVJRUUBMTP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.38
Rot. Bonds4

About 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid

7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid (PubChem CID 143310711) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid
PubChem CID143310711
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid
SMILESCc1ccc(SN(C)c2cccc3cc(C(=O)O)[nH]c23)s1
InChIInChI=1S/C15H14N2O2S2/c1-9-6-7-13(20-9)21-17(2)12-5-3-4-10-8-11(15(18)19)16-14(10)12/h3-8,16H,1-2H3,(H,18,19)
InChIKeyULZLIVJRUUBMTP-UHFFFAOYSA-N
XLogP4.38
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.38
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-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
CID 126635122
3-[methyl-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]amino]sulfanylthiophene-2-carboxylic acid
CID 126635145
7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
CID 169084297
1H-benzo[g]indole-2-carboxylic acid
CID 645288
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
CID 126635131
2-[[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methylsulfanyl]acetamide
CID 126635053
2-[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 143660915
ethane;1H-indole-2-carboxylic acid
CID 91052830
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
N-methyl-2-[5-(methylsulfonylmethyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylsulfanyl-1H-indol-7-amine
CID 126635143

Frequently Asked Questions

What is the IUPAC name of 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid?
The IUPAC name of 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid (CID 143310711) is 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid is Cc1ccc(SN(C)c2cccc3cc(C(=O)O)[nH]c23)s1.
What is the InChIKey of 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid?
The InChIKey is ULZLIVJRUUBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-9-6-7-13(20-9)21-17(2)12-5-3-4-10-8-11(15(18)19)16-14(10)12/h3-8,16H,1-2H3,(H,18,19).
What are the key properties of 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid?
7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl-(5-methylthiophen-2-yl)sulfanylamino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 143310711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).