1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide

C14H23N3O2S — CID 19711219

IUPAC1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1(CCN(C)C)CNc2ccccc21
InChIInChI=1S/C14H23N3O2S/c1-15-20(18,19)11-14(8-9-17(2)3)10-16-13-7-5-4-6-12(13)14/h4-7,15-16H,8-11H2,1-3H3
InChIKeyALHJUKAHBQYJEL-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.85
Rot. Bonds6

About 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide

1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide (PubChem CID 19711219) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide
PubChem CID19711219
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1(CCN(C)C)CNc2ccccc21
InChIInChI=1S/C14H23N3O2S/c1-15-20(18,19)11-14(8-9-17(2)3)10-16-13-7-5-4-6-12(13)14/h4-7,15-16H,8-11H2,1-3H3
InChIKeyALHJUKAHBQYJEL-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
5-(Pyrrolidin-1-ylsulfonyl)indoline
CID 7064088
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
1-(Methylsulfonyl)indolin-5-amine
CID 735917
2,3,3-Trimethylindoline
CID 10942760
2-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 132240603
2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 132240607
2-(2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11074217
N,N-Dimethylindoline-5-Sulfonamide
CID 2736127
1-(Methylsulfonyl)indoline
CID 639972
2,3-Dihydro-N,3-dimethyl-1-phenyl-1H-indole-3-propanamine
CID 31707
N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide
CID 11196451

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide (CID 19711219) is 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1(CCN(C)C)CNc2ccccc21.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide?
The InChIKey is ALHJUKAHBQYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-20(18,19)11-14(8-9-17(2)3)10-16-13-7-5-4-6-12(13)14/h4-7,15-16H,8-11H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide?
1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 19711219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).