methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate

C18H23N3O5S — CID 133167395

IUPACmethyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)C2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc12
InChIInChI=1S/C18H23N3O5S/c1-19(2)27(24,25)20-10-6-7-13(11-20)17(22)21-12-15(18(23)26-3)14-8-4-5-9-16(14)21/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyBHJBLRFVNNBNRH-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.59
Rot. Bonds4

About methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate

methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate (PubChem CID 133167395) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate
PubChem CID133167395
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Namemethyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)C2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc12
InChIInChI=1S/C18H23N3O5S/c1-19(2)27(24,25)20-10-6-7-13(11-20)17(22)21-12-15(18(23)26-3)14-8-4-5-9-16(14)21/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKeyBHJBLRFVNNBNRH-UHFFFAOYSA-N
XLogP1.59
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92679537
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92677063
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate (CID 133167395) is methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate is COC(=O)c1cn(C(=O)C2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc12.
What is the InChIKey of methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate?
The InChIKey is BHJBLRFVNNBNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-19(2)27(24,25)20-10-6-7-13(11-20)17(22)21-12-15(18(23)26-3)14-8-4-5-9-16(14)21/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3.
What are the key properties of methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate?
methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate has a molecular weight of 393.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(dimethylsulfamoyl)piperidine-3-carbonyl]indole-3-carboxylate is sourced from PubChem (CID 133167395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).