1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide

C17H21N3O3S — CID 146086773

IUPAC1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCCN(C(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C17H21N3O3S/c1-19(2)24(22,23)14-6-4-10-20(12-14)17(21)16-7-3-5-13-11-18-9-8-15(13)16/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3
InChIKeyBJHMYYPVHJLCRO-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.73
Rot. Bonds3

About 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide

1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide (PubChem CID 146086773) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
PubChem CID146086773
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCCN(C(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C17H21N3O3S/c1-19(2)24(22,23)14-6-4-10-20(12-14)17(21)16-7-3-5-13-11-18-9-8-15(13)16/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3
InChIKeyBJHMYYPVHJLCRO-UHFFFAOYSA-N
XLogP1.73
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-isoquinolin-5-ylmethanone
CID 56882612
3-[(3R)-1-(isoquinoline-5-carbonyl)piperidin-3-yl]benzoic acid
CID 97191115
(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
CID 129347090
1-(isoquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355718
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
(2S,3S,6R)-1-(isoquinoline-5-carbonyl)-2,6-dimethylpiperidine-3-carboxylic acid
CID 167876887
isoquinolin-5-yl-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 72870990
1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
CID 75476075
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-isoquinolin-5-ylmethanone
CID 95559763
(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
CID 97348630
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658

Frequently Asked Questions

What is the IUPAC name of 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
The IUPAC name of 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide (CID 146086773) is 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide is CN(C)S(=O)(=O)C1CCCN(C(=O)c2cccc3cnccc23)C1.
What is the InChIKey of 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
The InChIKey is BJHMYYPVHJLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19(2)24(22,23)14-6-4-10-20(12-14)17(21)16-7-3-5-13-11-18-9-8-15(13)16/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3.
What are the key properties of 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide is sourced from PubChem (CID 146086773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).