N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C15H20N2O4S — CID 125421289

IUPACN-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCN1CC[C@H](CNS(=O)(=O)c2cccc3c2OCC3)CC1=O
InChIInChI=1S/C15H20N2O4S/c1-17-7-5-11(9-14(17)18)10-16-22(19,20)13-4-2-3-12-6-8-21-15(12)13/h2-4,11,16H,5-10H2,1H3/t11-/m0/s1
InChIKeyNSYCHXLMIWGESH-NSHDSACASA-N
MW324.40 g/mol
LogP0.77
Rot. Bonds4

About N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 125421289) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID125421289
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCN1CC[C@H](CNS(=O)(=O)c2cccc3c2OCC3)CC1=O
InChIInChI=1S/C15H20N2O4S/c1-17-7-5-11(9-14(17)18)10-16-22(19,20)13-4-2-3-12-6-8-21-15(12)13/h2-4,11,16H,5-10H2,1H3/t11-/m0/s1
InChIKeyNSYCHXLMIWGESH-NSHDSACASA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-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

2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide
CID 126819338
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 167819030
5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 139013810
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidine-4-carboxylic acid
CID 122101452
2-[(2S,6R)-4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 139013798
4-[1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidin-3-yl]pyridine
CID 126841087
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126821064
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 139013799
1'-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)spiro[1,3-benzodioxole-2,3'-pyrrolidine]
CID 128851107
4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)morpholine-2-carboxylic acid
CID 136548425
1,3,5-trimethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyrazole-4-sulfonamide
CID 72920988
N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126838123

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 125421289) is N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is CN1CC[C@H](CNS(=O)(=O)c2cccc3c2OCC3)CC1=O.
What is the InChIKey of N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is NSYCHXLMIWGESH-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-17-7-5-11(9-14(17)18)10-16-22(19,20)13-4-2-3-12-6-8-21-15(12)13/h2-4,11,16H,5-10H2,1H3/t11-/m0/s1.
What are the key properties of N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 125421289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).