9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C19H27N3O3S — CID 68954073

IUPAC9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N(C)C)CCCC1
InChIInChI=1S/C19H27N3O3S/c1-20-19(23)14-9-10-18-16(13-14)15-7-4-5-8-17(15)22(18)11-6-12-26(24,25)21(2)3/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,23)
InChIKeyUSZKXFCFFNHCPP-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.16
Rot. Bonds6

About 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide

9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 68954073) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID68954073
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N(C)C)CCCC1
InChIInChI=1S/C19H27N3O3S/c1-20-19(23)14-9-10-18-16(13-14)15-7-4-5-8-17(15)22(18)11-6-12-26(24,25)21(2)3/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,23)
InChIKeyUSZKXFCFFNHCPP-UHFFFAOYSA-N
XLogP2.16
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 68954073) is 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CNC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N(C)C)CCCC1.
What is the InChIKey of 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is USZKXFCFFNHCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-20-19(23)14-9-10-18-16(13-14)15-7-4-5-8-17(15)22(18)11-6-12-26(24,25)21(2)3/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,23).
What are the key properties of 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 68954073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).