ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole

C18H23NS — CID 163257285

IUPACethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole
SMILESCC.CC(C)c1ccc(-c2ccc3c(ccn3C)c2)s1
InChIInChI=1S/C16H17NS.C2H6/c1-11(2)15-6-7-16(18-15)13-4-5-14-12(10-13)8-9-17(14)3;1-2/h4-11H,1-3H3;1-2H3
InChIKeyQLRRZEVCCCHZOT-UHFFFAOYSA-N
MW285.46 g/mol
LogP6.06
Rot. Bonds2

About ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole

ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole (PubChem CID 163257285) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole.

Molecular Properties

Compound Nameethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole
PubChem CID163257285
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Nameethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole
SMILESCC.CC(C)c1ccc(-c2ccc3c(ccn3C)c2)s1
InChIInChI=1S/C16H17NS.C2H6/c1-11(2)15-6-7-16(18-15)13-4-5-14-12(10-13)8-9-17(14)3;1-2/h4-11H,1-3H3;1-2H3
InChIKeyQLRRZEVCCCHZOT-UHFFFAOYSA-N
XLogP6.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-butan-2-yl-1-methylindole;ethane
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CID 137376309
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5-chloro-6-(1-methylindol-5-yl)-2-propan-2-yl-1H-indole
CID 176925862
5-iodo-1-methylindole
CID 11322835
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
CID 171784973
CID 171784973

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole?
The IUPAC name of ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole (CID 163257285) is ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole.
What is the SMILES notation for ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole?
The canonical SMILES for ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole is CC.CC(C)c1ccc(-c2ccc3c(ccn3C)c2)s1.
What is the InChIKey of ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole?
The InChIKey is QLRRZEVCCCHZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS.C2H6/c1-11(2)15-6-7-16(18-15)13-4-5-14-12(10-13)8-9-17(14)3;1-2/h4-11H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole?
ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole has a molecular weight of 285.46 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-(5-propan-2-ylthiophen-2-yl)indole is sourced from PubChem (CID 163257285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).