[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine

C15H22N2O2S — CID 117175369

IUPAC[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
SMILESCCS(=O)(=O)Cc1cn(C(C)C)c2ccc(CN)cc12
InChIInChI=1S/C15H22N2O2S/c1-4-20(18,19)10-13-9-17(11(2)3)15-6-5-12(8-16)7-14(13)15/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyAEFIKQZGVCQWHY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.62
Rot. Bonds5

About [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine

[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine (PubChem CID 117175369) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
PubChem CID117175369
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
SMILESCCS(=O)(=O)Cc1cn(C(C)C)c2ccc(CN)cc12
InChIInChI=1S/C15H22N2O2S/c1-4-20(18,19)10-13-9-17(11(2)3)15-6-5-12(8-16)7-14(13)15/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyAEFIKQZGVCQWHY-UHFFFAOYSA-N
XLogP2.62
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
CID 117178755
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
CID 117177027

Frequently Asked Questions

What is the IUPAC name of [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
The IUPAC name of [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine (CID 117175369) is [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine.
What is the SMILES notation for [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
The canonical SMILES for [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine is CCS(=O)(=O)Cc1cn(C(C)C)c2ccc(CN)cc12.
What is the InChIKey of [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
The InChIKey is AEFIKQZGVCQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-20(18,19)10-13-9-17(11(2)3)15-6-5-12(8-16)7-14(13)15/h5-7,9,11H,4,8,10,16H2,1-3H3.
What are the key properties of [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine?
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine is sourced from PubChem (CID 117175369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).