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

C19H27N3O3S — CID 137402357

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea
SMILESCN1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C19H27N3O3S/c1-22-10-4-7-15(12-22)26(24,25)21-19(23)20-18-16-8-2-5-13(16)11-14-6-3-9-17(14)18/h11,15H,2-10,12H2,1H3,(H2,20,21,23)
InChIKeyHQJMAWXRCGRTAP-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.21
Rot. Bonds3

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

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea (PubChem CID 137402357) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea
PubChem CID137402357
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea
SMILESCN1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C19H27N3O3S/c1-22-10-4-7-15(12-22)26(24,25)21-19(23)20-18-16-8-2-5-13(16)11-14-6-3-9-17(14)18/h11,15H,2-10,12H2,1H3,(H2,20,21,23)
InChIKeyHQJMAWXRCGRTAP-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-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-methylpiperidin-3-yl)sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea (CID 137402357) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea is CN1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea?
The InChIKey is HQJMAWXRCGRTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-22-10-4-7-15(12-22)26(24,25)21-19(23)20-18-16-8-2-5-13(16)11-14-6-3-9-17(14)18/h11,15H,2-10,12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpiperidin-3-yl)sulfonylurea has a molecular weight of 377.51 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-methylpiperidin-3-yl)sulfonylurea is sourced from PubChem (CID 137402357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).