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

C20H26KN3O4S — CID 155658593

IUPACpotassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
SMILESCC(=O)N1CCCC(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K+]
InChIInChI=1S/C20H27N3O4S.K/c1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;/h11,16H,2-10,12H2,1H3,(H2,21,22,25);/q;+1/p-1
InChIKeyBDWCXAZHPDOCAT-UHFFFAOYSA-M
MW443.61 g/mol
LogP-0.09
Rot. Bonds3

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

potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide (PubChem CID 155658593) has the molecular formula C20H26KN3O4S and a molecular weight of 443.61 g/mol. Its IUPAC name is potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide.

Molecular Properties

Compound Namepotassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
PubChem CID155658593
Molecular FormulaC20H26KN3O4S
Molecular Weight443.61 g/mol
Exact Mass443.13
IUPAC Namepotassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
SMILESCC(=O)N1CCCC(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K+]
InChIInChI=1S/C20H27N3O4S.K/c1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;/h11,16H,2-10,12H2,1H3,(H2,21,22,25);/q;+1/p-1
InChIKeyBDWCXAZHPDOCAT-UHFFFAOYSA-M
XLogP-0.09
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175724097
CID 175724097
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-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-methylazetidin-3-yl)piperidin-4-yl]sulfonylazanide
CID 155658633
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-(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-(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-(3-methylcyclobutyl)azetidin-3-yl]sulfonylazanide
CID 155658566
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-(oxolan-3-yl)azetidin-3-yl]sulfonylazanide
CID 155658590
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[2-(2-methylazetidin-1-yl)ethylsulfonyl]azanide
CID 155660721

Frequently Asked Questions

What is the IUPAC name of potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The IUPAC name of potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide (CID 155658593) is potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide.
What is the SMILES notation for potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The canonical SMILES for potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide is CC(=O)N1CCCC(S(=O)(=O)[N-]C(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K+].
What is the InChIKey of potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The InChIKey is BDWCXAZHPDOCAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27N3O4S.K/c1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;/h11,16H,2-10,12H2,1H3,(H2,21,22,25);/q;+1/p-1.
What are the key properties of potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide has a molecular weight of 443.61 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide is sourced from PubChem (CID 155658593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).