2-methyl-5-propan-2-ylsulfanyl-1H-indole

C12H15NS — CID 130340789

IUPAC2-methyl-5-propan-2-ylsulfanyl-1H-indole
SMILESCc1cc2cc(SC(C)C)ccc2[nH]1
InChIInChI=1S/C12H15NS/c1-8(2)14-11-4-5-12-10(7-11)6-9(3)13-12/h4-8,13H,1-3H3
InChIKeyNKKUPHNFSGPRQU-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.98
Rot. Bonds2

About 2-methyl-5-propan-2-ylsulfanyl-1H-indole

2-methyl-5-propan-2-ylsulfanyl-1H-indole (PubChem CID 130340789) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylsulfanyl-1H-indole.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylsulfanyl-1H-indole
PubChem CID130340789
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2-methyl-5-propan-2-ylsulfanyl-1H-indole
SMILESCc1cc2cc(SC(C)C)ccc2[nH]1
InChIInChI=1S/C12H15NS/c1-8(2)14-11-4-5-12-10(7-11)6-9(3)13-12/h4-8,13H,1-3H3
InChIKeyNKKUPHNFSGPRQU-UHFFFAOYSA-N
XLogP3.98
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylsulfanyl-1H-indole?
The IUPAC name of 2-methyl-5-propan-2-ylsulfanyl-1H-indole (CID 130340789) is 2-methyl-5-propan-2-ylsulfanyl-1H-indole.
What is the SMILES notation for 2-methyl-5-propan-2-ylsulfanyl-1H-indole?
The canonical SMILES for 2-methyl-5-propan-2-ylsulfanyl-1H-indole is Cc1cc2cc(SC(C)C)ccc2[nH]1.
What is the InChIKey of 2-methyl-5-propan-2-ylsulfanyl-1H-indole?
The InChIKey is NKKUPHNFSGPRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8(2)14-11-4-5-12-10(7-11)6-9(3)13-12/h4-8,13H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylsulfanyl-1H-indole?
2-methyl-5-propan-2-ylsulfanyl-1H-indole has a molecular weight of 205.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylsulfanyl-1H-indole is sourced from PubChem (CID 130340789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).