potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide

C21H30KN3O3S — CID 155658501

IUPACpotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide
SMILESCCC(CC)N1CC(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K+]
InChIInChI=1S/C21H31N3O3S.K/c1-3-16(4-2)24-12-17(13-24)28(26,27)23-21(25)22-20-18-9-5-7-14(18)11-15-8-6-10-19(15)20;/h11,16-17H,3-10,12-13H2,1-2H3,(H2,22,23,25);/q;+1/p-1
InChIKeyUYPNNYMKDXNKTK-UHFFFAOYSA-M
MW443.65 g/mol
LogP0.78
Rot. Bonds6

About potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide

potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide (PubChem CID 155658501) has the molecular formula C21H30KN3O3S and a molecular weight of 443.65 g/mol. Its IUPAC name is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide.

Molecular Properties

Compound Namepotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide
PubChem CID155658501
Molecular FormulaC21H30KN3O3S
Molecular Weight443.65 g/mol
Exact Mass443.16
IUPAC Namepotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide
SMILESCCC(CC)N1CC(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K+]
InChIInChI=1S/C21H31N3O3S.K/c1-3-16(4-2)24-12-17(13-24)28(26,27)23-21(25)22-20-18-9-5-7-14(18)11-15-8-6-10-19(15)20;/h11,16-17H,3-10,12-13H2,1-2H3,(H2,22,23,25);/q;+1/p-1
InChIKeyUYPNNYMKDXNKTK-UHFFFAOYSA-M
XLogP0.78
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.65
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide 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

potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-propan-2-ylazetidin-3-yl)sulfonylazanide
CID 155658508
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2-methylpropyl)azetidin-3-yl]sulfonylazanide
CID 155658526
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(4-hydroxybutyl)azetidin-3-yl]sulfonylazanide
CID 155658635
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(3-methylcyclobutyl)azetidin-3-yl]sulfonylazanide
CID 155658566
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide
CID 155658585
potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
CID 155658593
potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
CID 155658630
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1,1,2,2,2-pentadeuterioethyl)piperidin-4-yl]sulfonylazanide
CID 155658509
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1-methylazetidin-3-yl)piperidin-4-yl]sulfonylazanide
CID 155658633
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide
CID 155658590
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]azetidin-3-yl]sulfonylazanide
CID 155658516
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide
CID 155658618

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide?
The IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide (CID 155658501) is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide.
What is the SMILES notation for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide?
The canonical SMILES for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide is CCC(CC)N1CC(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K+].
What is the InChIKey of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide?
The InChIKey is UYPNNYMKDXNKTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H31N3O3S.K/c1-3-16(4-2)24-12-17(13-24)28(26,27)23-21(25)22-20-18-9-5-7-14(18)11-15-8-6-10-19(15)20;/h11,16-17H,3-10,12-13H2,1-2H3,(H2,22,23,25);/q;+1/p-1.
What are the key properties of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide?
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide has a molecular weight of 443.65 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide is sourced from PubChem (CID 155658501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).