N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide

C16H20N2O2S2 — CID 2747499

IUPACN-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,16-7-4-12-21-16)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15,17H,8-11,13H2
InChIKeyRBEGQGAMZNZTNU-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.69
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide

N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 2747499) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID2747499
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,16-7-4-12-21-16)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15,17H,8-11,13H2
InChIKeyRBEGQGAMZNZTNU-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide (CID 2747499) is N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is RBEGQGAMZNZTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-22(20,16-7-4-12-21-16)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15,17H,8-11,13H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide?
N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2747499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).