1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C24H27N5O3S — CID 142490200

IUPAC1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESN#CN=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27N5O3S/c25-16-26-33(31,20-9-7-19(8-10-20)29-11-13-32-14-12-29)28-24(30)27-23-21-5-1-3-17(21)15-18-4-2-6-22(18)23/h7-10,15H,1-6,11-14H2,(H2,26,27,28,30,31)
InChIKeyKTANEEULANAEBO-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.55
Rot. Bonds4

About 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 142490200) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID142490200
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESN#CN=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27N5O3S/c25-16-26-33(31,20-9-7-19(8-10-20)29-11-13-32-14-12-29)28-24(30)27-23-21-5-1-3-17(21)15-18-4-2-6-22(18)23/h7-10,15H,1-6,11-14H2,(H2,26,27,28,30,31)
InChIKeyKTANEEULANAEBO-UHFFFAOYSA-N
XLogP3.55
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[N-cyano-S-(3-fluorophenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142490231
1-[N-cyano-S-(6-methoxy-3-pyridinyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142490253
1-[S-(5-bromothiophen-2-yl)-N-cyanosulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146526286
1-[N-cyano-S-(6-methyl-2-pyridinyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142490228
CID 175753184
CID 175753184
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-nitrophenyl)sulfonylurea
CID 122480628
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylsulfonylurea
CID 130356216
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
CID 3069954
1-[1-(cyanomethyl)piperidin-4-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403219
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)butanamide
CID 142529569
1-(3,5-dimethylmorpholin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 130356184
1-[2-(dipropylamino)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224273

Frequently Asked Questions

What is the IUPAC name of 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 142490200) is 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is N#CN=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is KTANEEULANAEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c25-16-26-33(31,20-9-7-19(8-10-20)29-11-13-32-14-12-29)28-24(30)27-23-21-5-1-3-17(21)15-18-4-2-6-22(18)23/h7-10,15H,1-6,11-14H2,(H2,26,27,28,30,31).
What are the key properties of 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 465.58 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-cyano-S-(4-morpholin-4-ylphenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 142490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).