2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide

C15H24N2O2S2 — CID 62843901

IUPAC2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NC1CCCc2sccc21
InChIInChI=1S/C15H24N2O2S2/c18-21(19,11-8-12-4-1-2-9-16-12)17-14-5-3-6-15-13(14)7-10-20-15/h7,10,12,14,16-17H,1-6,8-9,11H2
InChIKeyXWKJEZVWABZDJK-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.58
Rot. Bonds5

About 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide

2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide (PubChem CID 62843901) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide
PubChem CID62843901
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NC1CCCc2sccc21
InChIInChI=1S/C15H24N2O2S2/c18-21(19,11-8-12-4-1-2-9-16-12)17-14-5-3-6-15-13(14)7-10-20-15/h7,10,12,14,16-17H,1-6,8-9,11H2
InChIKeyXWKJEZVWABZDJK-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butane-1-sulfonamide
CID 114141023
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-3-sulfonamide
CID 62843372
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62840437
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
N-(2-ethylcyclohexyl)-2-piperidin-2-ylethanesulfonamide
CID 61468215
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 106382408
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide?
The IUPAC name of 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide (CID 62843901) is 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide?
The canonical SMILES for 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide is O=S(=O)(CCC1CCCCN1)NC1CCCc2sccc21.
What is the InChIKey of 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide?
The InChIKey is XWKJEZVWABZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c18-21(19,11-8-12-4-1-2-9-16-12)17-14-5-3-6-15-13(14)7-10-20-15/h7,10,12,14,16-17H,1-6,8-9,11H2.
What are the key properties of 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide?
2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanesulfonamide is sourced from PubChem (CID 62843901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).