4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide

C21H30N4O4S — CID 137402359

IUPAC4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1
InChIInChI=1S/C21H30N4O4S/c1-24(2)21(27)25-11-9-16(10-12-25)30(28,29)23-20(26)22-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,3-12H2,1-2H3,(H2,22,23,26)
InChIKeyHNKBZALMGWQGGB-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.26
Rot. Bonds3

About 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide

4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 137402359) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID137402359
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1
InChIInChI=1S/C21H30N4O4S/c1-24(2)21(27)25-11-9-16(10-12-25)30(28,29)23-20(26)22-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,3-12H2,1-2H3,(H2,22,23,26)
InChIKeyHNKBZALMGWQGGB-UHFFFAOYSA-N
XLogP2.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide (CID 137402359) is 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.
What is the InChIKey of 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is HNKBZALMGWQGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-24(2)21(27)25-11-9-16(10-12-25)30(28,29)23-20(26)22-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,3-12H2,1-2H3,(H2,22,23,26).
What are the key properties of 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide?
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 137402359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).