1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine

C15H22N2O2S — CID 117178915

IUPAC1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
SMILESCC(C)n1cc(CS(=O)(=O)C(C)C)c2ccc(N)cc21
InChIInChI=1S/C15H22N2O2S/c1-10(2)17-8-12(9-20(18,19)11(3)4)14-6-5-13(16)7-15(14)17/h5-8,10-11H,9,16H2,1-4H3
InChIKeyPAWBECZNBHHZBK-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.13
Rot. Bonds4

About 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine

1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine (PubChem CID 117178915) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
PubChem CID117178915
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
SMILESCC(C)n1cc(CS(=O)(=O)C(C)C)c2ccc(N)cc21
InChIInChI=1S/C15H22N2O2S/c1-10(2)17-8-12(9-20(18,19)11(3)4)14-6-5-13(16)7-15(14)17/h5-8,10-11H,9,16H2,1-4H3
InChIKeyPAWBECZNBHHZBK-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine?
The IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine (CID 117178915) is 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine is CC(C)n1cc(CS(=O)(=O)C(C)C)c2ccc(N)cc21.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine?
The InChIKey is PAWBECZNBHHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)17-8-12(9-20(18,19)11(3)4)14-6-5-13(16)7-15(14)17/h5-8,10-11H,9,16H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine?
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine has a molecular weight of 294.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine is sourced from PubChem (CID 117178915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).