1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide

C14H25N3O2S — CID 140783869

IUPAC1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1C=CC2=C(C1)C(CCN(C)C)CN2
InChIInChI=1S/C14H25N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,11-12,15-16H,6-10H2,1-3H3
InChIKeyOEAPJINDLPFRFS-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.54
Rot. Bonds6

About 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide

1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 140783869) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID140783869
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1C=CC2=C(C1)C(CCN(C)C)CN2
InChIInChI=1S/C14H25N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,11-12,15-16H,6-10H2,1-3H3
InChIKeyOEAPJINDLPFRFS-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 140783869) is 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1C=CC2=C(C1)C(CCN(C)C)CN2.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is OEAPJINDLPFRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,11-12,15-16H,6-10H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
1-[3-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 0.54, 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]-2,3,4,5-tetrahydro-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 140783869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).