1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea

C19H27N3O5S2 — CID 137402384

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea
SMILESCS(=O)(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1
InChIInChI=1S/C19H27N3O5S2/c1-28(24,25)22-10-8-15(9-11-22)29(26,27)21-19(23)20-18-16-6-2-4-13(16)12-14-5-3-7-17(14)18/h12,15H,2-11H2,1H3,(H2,20,21,23)
InChIKeyVMNLFPPMKDJQBR-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.54
Rot. Bonds4

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea (PubChem CID 137402384) has the molecular formula C19H27N3O5S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea
PubChem CID137402384
Molecular FormulaC19H27N3O5S2
Molecular Weight441.58 g/mol
Exact Mass441.14
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea
SMILESCS(=O)(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1
InChIInChI=1S/C19H27N3O5S2/c1-28(24,25)22-10-8-15(9-11-22)29(26,27)21-19(23)20-18-16-6-2-4-13(16)12-14-5-3-7-17(14)18/h12,15H,2-11H2,1H3,(H2,20,21,23)
InChIKeyVMNLFPPMKDJQBR-UHFFFAOYSA-N
XLogP1.54
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea (CID 137402384) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea is CS(=O)(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea?
The InChIKey is VMNLFPPMKDJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S2/c1-28(24,25)22-10-8-15(9-11-22)29(26,27)21-19(23)20-18-16-6-2-4-13(16)12-14-5-3-7-17(14)18/h12,15H,2-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea has a molecular weight of 441.58 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea is sourced from PubChem (CID 137402384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).