[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine

C15H22N2O2S — CID 106717670

IUPAC[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCn1cc(CN)c2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)20(18,19)9-8-17-11-12(10-16)13-6-4-5-7-14(13)17/h4-7,11H,8-10,16H2,1-3H3
InChIKeyVDQVPLHJBHBHRL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.31
Rot. Bonds4

About [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine

[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine (PubChem CID 106717670) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
PubChem CID106717670
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCn1cc(CN)c2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)20(18,19)9-8-17-11-12(10-16)13-6-4-5-7-14(13)17/h4-7,11H,8-10,16H2,1-3H3
InChIKeyVDQVPLHJBHBHRL-UHFFFAOYSA-N
XLogP2.31
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine?
The IUPAC name of [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine (CID 106717670) is [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine?
The canonical SMILES for [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine is CC(C)(C)S(=O)(=O)CCn1cc(CN)c2ccccc21.
What is the InChIKey of [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine?
The InChIKey is VDQVPLHJBHBHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,3)20(18,19)9-8-17-11-12(10-16)13-6-4-5-7-14(13)17/h4-7,11H,8-10,16H2,1-3H3.
What are the key properties of [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine?
[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine is sourced from PubChem (CID 106717670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).