N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

C15H20N2O2S3 — CID 16888263

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1cccs1
InChIInChI=1S/C15H20N2O2S3/c18-22(19,15-4-2-10-21-15)16-11-13-5-7-17(8-6-13)12-14-3-1-9-20-14/h1-4,9-10,13,16H,5-8,11-12H2
InChIKeyOKCJILSFDRSDKY-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.00
Rot. Bonds6

About N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 16888263) has the molecular formula C15H20N2O2S3 and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID16888263
Molecular FormulaC15H20N2O2S3
Molecular Weight356.54 g/mol
Exact Mass356.07
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1cccs1
InChIInChI=1S/C15H20N2O2S3/c18-22(19,15-4-2-10-21-15)16-11-13-5-7-17(8-6-13)12-14-3-1-9-20-14/h1-4,9-10,13,16H,5-8,11-12H2
InChIKeyOKCJILSFDRSDKY-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-b]thiophene-5-sulfonamide
CID 44296918
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3243911
[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745
N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3238367
(5-(Piperidin-1-ylsulfonyl)thiophen-2-yl)methanamine
CID 16227277
2,5-difluoro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888267
2-fluoro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888269
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
5-Thiomorpholin-4-ylmethyl-thieno[2,3-b]thiophene-2-sulfonic acid amide; hydrochloride
CID 14460486
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 16887719

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 16888263) is N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1cccs1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is OKCJILSFDRSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S3/c18-22(19,15-4-2-10-21-15)16-11-13-5-7-17(8-6-13)12-14-3-1-9-20-14/h1-4,9-10,13,16H,5-8,11-12H2.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 356.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16888263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).