[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine

C14H20N2O2S — CID 117182209

IUPAC[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
SMILESCC(C)n1cc(CS(C)(=O)=O)c2cccc(CN)c21
InChIInChI=1S/C14H20N2O2S/c1-10(2)16-8-12(9-19(3,17)18)13-6-4-5-11(7-15)14(13)16/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyGNPQOSOUURHAQF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.23
Rot. Bonds4

About [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine

[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine (PubChem CID 117182209) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine.

Molecular Properties

Compound Name[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
PubChem CID117182209
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
SMILESCC(C)n1cc(CS(C)(=O)=O)c2cccc(CN)c21
InChIInChI=1S/C14H20N2O2S/c1-10(2)16-8-12(9-19(3,17)18)13-6-4-5-11(7-15)14(13)16/h4-6,8,10H,7,9,15H2,1-3H3
InChIKeyGNPQOSOUURHAQF-UHFFFAOYSA-N
XLogP2.23
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
CID 117186293
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[1-methyl-2-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117183419
[3-(methylsulfonylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117181413
4-fluoro-3-(methylsulfonylmethyl)-1-propan-2-ylindole
CID 117171819
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine?
The IUPAC name of [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine (CID 117182209) is [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine.
What is the SMILES notation for [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine?
The canonical SMILES for [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine is CC(C)n1cc(CS(C)(=O)=O)c2cccc(CN)c21.
What is the InChIKey of [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine?
The InChIKey is GNPQOSOUURHAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)16-8-12(9-19(3,17)18)13-6-4-5-11(7-15)14(13)16/h4-6,8,10H,7,9,15H2,1-3H3.
What are the key properties of [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine?
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine has a molecular weight of 280.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine is sourced from PubChem (CID 117182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).