N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide

C13H20N2O2S2 — CID 62843372

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCc2sccc21)C1CCCNC1
InChIInChI=1S/C13H20N2O2S2/c16-19(17,10-3-2-7-14-9-10)15-12-4-1-5-13-11(12)6-8-18-13/h6,8,10,12,14-15H,1-5,7,9H2
InChIKeyOOCIUWOMLXSRSO-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.80
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide (PubChem CID 62843372) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide
PubChem CID62843372
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCc2sccc21)C1CCCNC1
InChIInChI=1S/C13H20N2O2S2/c16-19(17,10-3-2-7-14-9-10)15-12-4-1-5-13-11(12)6-8-18-13/h6,8,10,12,14-15H,1-5,7,9H2
InChIKeyOOCIUWOMLXSRSO-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-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

4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide
CID 1817801
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-methylbenzenesulfonamide
CID 6622340
1-(2-fluorophenyl)-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)methanesulfonamide
CID 16888334
1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47087743
N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
CID 56824136
N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide
CID 2747499
N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887767
2-phenyl-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)ethanesulfonamide
CID 16888303
N-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16932936

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide (CID 62843372) is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide is O=S(=O)(NC1CCCc2sccc21)C1CCCNC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide?
The InChIKey is OOCIUWOMLXSRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c16-19(17,10-3-2-7-14-9-10)15-12-4-1-5-13-11(12)6-8-18-13/h6,8,10,12,14-15H,1-5,7,9H2.
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide?
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 62843372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).