potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide

C20H26KN3O4S — CID 155658585

IUPACpotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide
SMILESO=C([N-]S(=O)(=O)C1CN(CC2COC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
InChIInChI=1S/C20H27N3O4S.K/c24-20(22-28(25,26)16-9-23(10-16)8-13-11-27-12-13)21-19-17-5-1-3-14(17)7-15-4-2-6-18(15)19;/h7,13,16H,1-6,8-12H2,(H2,21,22,24);/q;+1/p-1
InChIKeyALBBYFAMACTWCE-UHFFFAOYSA-M
MW443.61 g/mol
LogP-0.77
Rot. Bonds5

About potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide

potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide (PubChem CID 155658585) has the molecular formula C20H26KN3O4S and a molecular weight of 443.61 g/mol. Its IUPAC name is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide.

Molecular Properties

Compound Namepotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide
PubChem CID155658585
Molecular FormulaC20H26KN3O4S
Molecular Weight443.61 g/mol
Exact Mass443.13
IUPAC Namepotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide
SMILESO=C([N-]S(=O)(=O)C1CN(CC2COC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
InChIInChI=1S/C20H27N3O4S.K/c24-20(22-28(25,26)16-9-23(10-16)8-13-11-27-12-13)21-19-17-5-1-3-14(17)7-15-4-2-6-18(15)19;/h7,13,16H,1-6,8-12H2,(H2,21,22,24);/q;+1/p-1
InChIKeyALBBYFAMACTWCE-UHFFFAOYSA-M
XLogP-0.77
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methylpropyl)azetidin-3-yl]sulfonylazanide
CID 155658526
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-propan-2-ylazetidin-3-yl)sulfonylazanide
CID 155658508
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide
CID 155658501
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402914
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-[(1-methyl-6-oxo-3-pyridinyl)methyl]azetidin-3-yl]sulfonylazanide
CID 155658516
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-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
CID 155658593
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1-methylazetidin-3-yl)piperidin-4-yl]sulfonylazanide
CID 155658633

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide?
The IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide (CID 155658585) is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide.
What is the SMILES notation for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide?
The canonical SMILES for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide is O=C([N-]S(=O)(=O)C1CN(CC2COC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+].
What is the InChIKey of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide?
The InChIKey is ALBBYFAMACTWCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27N3O4S.K/c24-20(22-28(25,26)16-9-23(10-16)8-13-11-27-12-13)21-19-17-5-1-3-14(17)7-15-4-2-6-18(15)19;/h7,13,16H,1-6,8-12H2,(H2,21,22,24);/q;+1/p-1.
What are the key properties of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide?
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide has a molecular weight of 443.61 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide is sourced from PubChem (CID 155658585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).