N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

C17H22N2O2S2 — CID 16887767

IUPACN-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H22N2O2S2/c20-23(21,17-7-4-12-22-17)18-13-15-8-10-19(11-9-15)14-16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2
InChIKeyDRXXGGVNSRFTQC-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.94
Rot. Bonds6

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

N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 16887767) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID16887767
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H22N2O2S2/c20-23(21,17-7-4-12-22-17)18-13-15-8-10-19(11-9-15)14-16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2
InChIKeyDRXXGGVNSRFTQC-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.94
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)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 16887767) is N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DRXXGGVNSRFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c20-23(21,17-7-4-12-22-17)18-13-15-8-10-19(11-9-15)14-16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 350.51 g/mol, XLogP of 2.94, 6 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)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16887767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).