potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide

C20H26KN3O3S — CID 155658630

IUPACpotassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
SMILESO=C([N-]S(=O)(=O)C1CCN(C2CC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
InChIInChI=1S/C20H27N3O3S.K/c24-20(22-27(25,26)16-9-10-23(12-16)15-7-8-15)21-19-17-5-1-3-13(17)11-14-4-2-6-18(14)19;/h11,15-16H,1-10,12H2,(H2,21,22,24);/q;+1/p-1
InChIKeyIKBZHBUGFUNRSG-UHFFFAOYSA-M
MW427.61 g/mol
LogP0.14
Rot. Bonds4

About potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide

potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide (PubChem CID 155658630) has the molecular formula C20H26KN3O3S and a molecular weight of 427.61 g/mol. Its IUPAC name is potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide.

Molecular Properties

Compound Namepotassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
PubChem CID155658630
Molecular FormulaC20H26KN3O3S
Molecular Weight427.61 g/mol
Exact Mass427.13
IUPAC Namepotassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
SMILESO=C([N-]S(=O)(=O)C1CCN(C2CC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
InChIInChI=1S/C20H27N3O3S.K/c24-20(22-27(25,26)16-9-10-23(12-16)15-7-8-15)21-19-17-5-1-3-13(17)11-14-4-2-6-18(14)19;/h11,15-16H,1-10,12H2,(H2,21,22,24);/q;+1/p-1
InChIKeyIKBZHBUGFUNRSG-UHFFFAOYSA-M
XLogP0.14
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-methylcyclobutyl)azetidin-3-yl]sulfonylazanide
CID 155658566
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-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide
CID 155658618
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide
CID 155658590
1-(1-cyclopropylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;molecular hydrogen
CID 142513099
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-propan-2-ylazetidin-3-yl)sulfonylazanide
CID 155658508
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-pentan-3-ylazetidin-3-yl)sulfonylazanide
CID 155658501
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide
CID 155658585

Frequently Asked Questions

What is the IUPAC name of potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The IUPAC name of potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide (CID 155658630) is potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide.
What is the SMILES notation for potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The canonical SMILES for potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide is O=C([N-]S(=O)(=O)C1CCN(C2CC2)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+].
What is the InChIKey of potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The InChIKey is IKBZHBUGFUNRSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27N3O3S.K/c24-20(22-27(25,26)16-9-10-23(12-16)15-7-8-15)21-19-17-5-1-3-13(17)11-14-4-2-6-18(14)19;/h11,15-16H,1-10,12H2,(H2,21,22,24);/q;+1/p-1.
What are the key properties of potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide has a molecular weight of 427.61 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide is sourced from PubChem (CID 155658630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).