1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide

C13H18N2O3S — CID 10660550

IUPAC1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCCO)c2c1
InChIInChI=1S/C13H18N2O3S/c1-14-19(17,18)9-10-4-5-13-12(7-10)11(8-15-13)3-2-6-16/h4-5,7-8,14-16H,2-3,6,9H2,1H3
InChIKeyXINMFEAHXJVBRG-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.14
Rot. Bonds6

About 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide

1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 10660550) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID10660550
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCCO)c2c1
InChIInChI=1S/C13H18N2O3S/c1-14-19(17,18)9-10-4-5-13-12(7-10)11(8-15-13)3-2-6-16/h4-5,7-8,14-16H,2-3,6,9H2,1H3
InChIKeyXINMFEAHXJVBRG-UHFFFAOYSA-N
XLogP1.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
1-[3-[2,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]acetamide
CID 159802843
bis(1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide);butanedioic acid
CID 131873425
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 21188875
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
CID 14555103
1-[3-[[3-[2-(dimethylamino)ethyl]-5-(methylsulfamoylmethyl)-1H-indol-2-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 169438957
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67085783
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 54706276
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 67665325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 10660550) is 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc2[nH]cc(CCCO)c2c1.
What is the InChIKey of 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is XINMFEAHXJVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-14-19(17,18)9-10-4-5-13-12(7-10)11(8-15-13)3-2-6-16/h4-5,7-8,14-16H,2-3,6,9H2,1H3.
What are the key properties of 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 10660550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).