N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide

C20H29N3O3S — CID 93075951

IUPACN,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCC[C@@H](C)C1)n2C
InChIInChI=1S/C20H29N3O3S/c1-5-23(6-2)27(25,26)17-9-10-18-16(12-17)13-19(21(18)4)20(24)22-11-7-8-15(3)14-22/h9-10,12-13,15H,5-8,11,14H2,1-4H3/t15-/m1/s1
InChIKeyIILCRCHJVSCTCS-OAHLLOKOSA-N
MW391.54 g/mol
LogP3.08
Rot. Bonds5

About N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide

N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide (PubChem CID 93075951) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
PubChem CID93075951
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCC[C@@H](C)C1)n2C
InChIInChI=1S/C20H29N3O3S/c1-5-23(6-2)27(25,26)17-9-10-18-16(12-17)13-19(21(18)4)20(24)22-11-7-8-15(3)14-22/h9-10,12-13,15H,5-8,11,14H2,1-4H3/t15-/m1/s1
InChIKeyIILCRCHJVSCTCS-OAHLLOKOSA-N
XLogP3.08
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
CID 50801779
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377138
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46648352
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902053
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
CID 93076605
5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016
N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55662128
N-[4-(diethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681860
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
5-(diethylsulfamoyl)-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide
CID 50801937

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide (CID 93075951) is N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCC[C@@H](C)C1)n2C.
What is the InChIKey of N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide?
The InChIKey is IILCRCHJVSCTCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-5-23(6-2)27(25,26)17-9-10-18-16(12-17)13-19(21(18)4)20(24)22-11-7-8-15(3)14-22/h9-10,12-13,15H,5-8,11,14H2,1-4H3/t15-/m1/s1.
What are the key properties of N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide?
N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide has a molecular weight of 391.54 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide is sourced from PubChem (CID 93075951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).