1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide

C16H23N3O2S — CID 21268484

IUPAC1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide
SMILESNCc1c[nH]c2ccc(CS(=O)(=O)NC3CCCCC3)cc12
InChIInChI=1S/C16H23N3O2S/c17-9-13-10-18-16-7-6-12(8-15(13)16)11-22(20,21)19-14-4-2-1-3-5-14/h6-8,10,14,18-19H,1-5,9,11,17H2
InChIKeyZSBLMRGUJYFRIX-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.38
Rot. Bonds5

About 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide

1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide (PubChem CID 21268484) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide
PubChem CID21268484
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide
SMILESNCc1c[nH]c2ccc(CS(=O)(=O)NC3CCCCC3)cc12
InChIInChI=1S/C16H23N3O2S/c17-9-13-10-18-16-7-6-12(8-15(13)16)11-22(20,21)19-14-4-2-1-3-5-14/h6-8,10,14,18-19H,1-5,9,11,17H2
InChIKeyZSBLMRGUJYFRIX-UHFFFAOYSA-N
XLogP2.38
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide (CID 21268484) is 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide is NCc1c[nH]c2ccc(CS(=O)(=O)NC3CCCCC3)cc12.
What is the InChIKey of 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide?
The InChIKey is ZSBLMRGUJYFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c17-9-13-10-18-16-7-6-12(8-15(13)16)11-22(20,21)19-14-4-2-1-3-5-14/h6-8,10,14,18-19H,1-5,9,11,17H2.
What are the key properties of 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide?
1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-1H-indol-5-yl]-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 21268484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).