1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole

C14H20N2O4S2 — CID 608636

IUPAC1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C14H20N2O4S2/c1-21(17,18)16-10-7-12-11-13(5-6-14(12)16)22(19,20)15-8-3-2-4-9-15/h5-6,11H,2-4,7-10H2,1H3
InChIKeyYHCZTMUYPRAOOM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.18
Rot. Bonds3

About 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole

1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole (PubChem CID 608636) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
PubChem CID608636
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C14H20N2O4S2/c1-21(17,18)16-10-7-12-11-13(5-6-14(12)16)22(19,20)15-8-3-2-4-9-15/h5-6,11H,2-4,7-10H2,1H3
InChIKeyYHCZTMUYPRAOOM-UHFFFAOYSA-N
XLogP1.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole (CID 608636) is 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole is CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The InChIKey is YHCZTMUYPRAOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-21(17,18)16-10-7-12-11-13(5-6-14(12)16)22(19,20)15-8-3-2-4-9-15/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole has a molecular weight of 344.46 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 608636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).