[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine

C15H22N2O2S — CID 117178755

IUPAC[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
SMILESCCn1cc(CS(=O)(=O)C(C)C)c2ccc(CN)cc21
InChIInChI=1S/C15H22N2O2S/c1-4-17-9-13(10-20(18,19)11(2)3)14-6-5-12(8-16)7-15(14)17/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyHNJKPPSMFBQMBR-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.44
Rot. Bonds5

About [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine

[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine (PubChem CID 117178755) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
PubChem CID117178755
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
SMILESCCn1cc(CS(=O)(=O)C(C)C)c2ccc(CN)cc21
InChIInChI=1S/C15H22N2O2S/c1-4-17-9-13(10-20(18,19)11(2)3)14-6-5-12(8-16)7-15(14)17/h5-7,9,11H,4,8,10,16H2,1-3H3
InChIKeyHNJKPPSMFBQMBR-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Gsk-2881078
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N-Methyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-1H-indole-5-methanesulfonamide
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N,N'-Dimethyltryptamine
CID 37796
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
CID 10017687
N-benzenesulfonylgramine antagonist, 8
CID 11723168
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CID 11958319

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine?
The IUPAC name of [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine (CID 117178755) is [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine?
The canonical SMILES for [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine is CCn1cc(CS(=O)(=O)C(C)C)c2ccc(CN)cc21.
What is the InChIKey of [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine?
The InChIKey is HNJKPPSMFBQMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-17-9-13(10-20(18,19)11(2)3)14-6-5-12(8-16)7-15(14)17/h5-7,9,11H,4,8,10,16H2,1-3H3.
What are the key properties of [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine?
[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine is sourced from PubChem (CID 117178755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).