1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide

C11H14N2O2S — CID 173052004

IUPAC1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C11H14N2O2S/c1-13(2)16(14,15)8-10-7-9-5-3-4-6-11(9)12-10/h3-7,12H,8H2,1-2H3
InChIKeyHBCWMSYWJOYZHE-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.56
Rot. Bonds3

About 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide

1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide (PubChem CID 173052004) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
PubChem CID173052004
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C11H14N2O2S/c1-13(2)16(14,15)8-10-7-9-5-3-4-6-11(9)12-10/h3-7,12H,8H2,1-2H3
InChIKeyHBCWMSYWJOYZHE-UHFFFAOYSA-N
XLogP1.56
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-ylmethanesulfonamide
CID 54351083
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
N-[2-(1H-indol-2-yl)ethyl]methanesulfonamide
CID 20598528
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
CID 111087914
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
4-(1H-indol-2-yl)butan-2-one
CID 10954278
2-ethylsulfonyl-N-(1H-indol-2-ylmethyl)aniline
CID 91662200
2-(2-fluoroethyl)-1H-indole
CID 142633825

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide (CID 173052004) is 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)Cc1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide?
The InChIKey is HBCWMSYWJOYZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-13(2)16(14,15)8-10-7-9-5-3-4-6-11(9)12-10/h3-7,12H,8H2,1-2H3.
What are the key properties of 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide?
1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 173052004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).