3-(1-methylsulfonylpropyl)-1H-indole

C12H15NO2S — CID 162689474

IUPAC3-(1-methylsulfonylpropyl)-1H-indole
SMILESCCC(c1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C12H15NO2S/c1-3-12(16(2,14)15)10-8-13-11-7-5-4-6-9(10)11/h4-8,12-13H,3H2,1-2H3
InChIKeyAKZZORTUDBBDTB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.66
Rot. Bonds3

About 3-(1-methylsulfonylpropyl)-1H-indole

3-(1-methylsulfonylpropyl)-1H-indole (PubChem CID 162689474) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(1-methylsulfonylpropyl)-1H-indole.

Molecular Properties

Compound Name3-(1-methylsulfonylpropyl)-1H-indole
PubChem CID162689474
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name3-(1-methylsulfonylpropyl)-1H-indole
SMILESCCC(c1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C12H15NO2S/c1-3-12(16(2,14)15)10-8-13-11-7-5-4-6-9(10)11/h4-8,12-13H,3H2,1-2H3
InChIKeyAKZZORTUDBBDTB-UHFFFAOYSA-N
XLogP2.66
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005
chloro 2-(1H-indol-3-yl)butanoate
CID 174769517
3-methylsulfonyl-1H-indole
CID 86767790
CID 178029923
CID 178029923
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
CID 57297566
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpropyl)-1H-indole?
The IUPAC name of 3-(1-methylsulfonylpropyl)-1H-indole (CID 162689474) is 3-(1-methylsulfonylpropyl)-1H-indole.
What is the SMILES notation for 3-(1-methylsulfonylpropyl)-1H-indole?
The canonical SMILES for 3-(1-methylsulfonylpropyl)-1H-indole is CCC(c1c[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of 3-(1-methylsulfonylpropyl)-1H-indole?
The InChIKey is AKZZORTUDBBDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-12(16(2,14)15)10-8-13-11-7-5-4-6-9(10)11/h4-8,12-13H,3H2,1-2H3.
What are the key properties of 3-(1-methylsulfonylpropyl)-1H-indole?
3-(1-methylsulfonylpropyl)-1H-indole has a molecular weight of 237.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpropyl)-1H-indole is sourced from PubChem (CID 162689474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).