N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine

C13H18N2O2S — CID 10199220

IUPACN,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine
SMILESCN(C)CCc1cn(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C13H18N2O2S/c1-14(2)9-8-11-10-15(18(3,16)17)13-7-5-4-6-12(11)13/h4-7,10H,8-9H2,1-3H3
InChIKeyVXKXFPCXSPRMGE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.55
Rot. Bonds4

About N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine

N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine (PubChem CID 10199220) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine
PubChem CID10199220
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine
SMILESCN(C)CCc1cn(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C13H18N2O2S/c1-14(2)9-8-11-10-15(18(3,16)17)13-7-5-4-6-12(11)13/h4-7,10H,8-9H2,1-3H3
InChIKeyVXKXFPCXSPRMGE-UHFFFAOYSA-N
XLogP1.55
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine (CID 10199220) is N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine is CN(C)CCc1cn(S(C)(=O)=O)c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine?
The InChIKey is VXKXFPCXSPRMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-14(2)9-8-11-10-15(18(3,16)17)13-7-5-4-6-12(11)13/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine?
N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine has a molecular weight of 266.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylsulfonylindol-3-yl)ethanamine is sourced from PubChem (CID 10199220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).