1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine

C16H24N2O2S — CID 106717836

IUPAC1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(ccn2CCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)21(19,20)10-9-18-8-7-14-11-13(12-17-4)5-6-15(14)18/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyLYCDLABJLGNVGF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine

1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine (PubChem CID 106717836) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
PubChem CID106717836
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(ccn2CCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)21(19,20)10-9-18-8-7-14-11-13(12-17-4)5-6-15(14)18/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyLYCDLABJLGNVGF-UHFFFAOYSA-N
XLogP2.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylsulfonylethyl)indole-5-carbonitrile
CID 107920167
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
CID 107010388
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
CID 107045620
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine (CID 106717836) is 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine is CNCc1ccc2c(ccn2CCS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine?
The InChIKey is LYCDLABJLGNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)21(19,20)10-9-18-8-7-14-11-13(12-17-4)5-6-15(14)18/h5-8,11,17H,9-10,12H2,1-4H3.
What are the key properties of 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine?
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine has a molecular weight of 308.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 106717836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).