7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole

C17H24N2O2S — CID 90161754

IUPAC7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
SMILESCc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12
InChIInChI=1S/C17H24N2O2S/c1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyDPDOVJBPOSIHRQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.65
Rot. Bonds3

About 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole

7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole (PubChem CID 90161754) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole.

Molecular Properties

Compound Name7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
PubChem CID90161754
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
SMILESCc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12
InChIInChI=1S/C17H24N2O2S/c1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyDPDOVJBPOSIHRQ-UHFFFAOYSA-N
XLogP3.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The IUPAC name of 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole (CID 90161754) is 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole.
What is the SMILES notation for 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The canonical SMILES for 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole is Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12.
What is the InChIKey of 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The InChIKey is DPDOVJBPOSIHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18/h7-9,12-13H,4-6,10-11H2,1-3H3.
What are the key properties of 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole has a molecular weight of 320.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole is sourced from PubChem (CID 90161754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).