N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide

C21H27N3O5S3 — CID 41312296

IUPACN-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O5S3/c25-21(17-6-4-12-24(16-17)32(28,29)20-9-5-15-30-20)23-13-10-18(11-14-23)22-31(26,27)19-7-2-1-3-8-19/h1-3,5,7-9,15,17-18,22H,4,6,10-14,16H2/t17-/m1/s1
InChIKeyQXRNGJPCZPUVDZ-QGZVFWFLSA-N
MW497.66 g/mol
LogP2.12
Rot. Bonds6

About N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide

N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 41312296) has the molecular formula C21H27N3O5S3 and a molecular weight of 497.66 g/mol. Its IUPAC name is N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide
PubChem CID41312296
Molecular FormulaC21H27N3O5S3
Molecular Weight497.66 g/mol
Exact Mass497.11
IUPAC NameN-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O5S3/c25-21(17-6-4-12-24(16-17)32(28,29)20-9-5-15-30-20)23-13-10-18(11-14-23)22-31(26,27)19-7-2-1-3-8-19/h1-3,5,7-9,15,17-18,22H,4,6,10-14,16H2/t17-/m1/s1
InChIKeyQXRNGJPCZPUVDZ-QGZVFWFLSA-N
XLogP2.12
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate
CID 55513594
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 41273997
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide (CID 41312296) is N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide is O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is QXRNGJPCZPUVDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O5S3/c25-21(17-6-4-12-24(16-17)32(28,29)20-9-5-15-30-20)23-13-10-18(11-14-23)22-31(26,27)19-7-2-1-3-8-19/h1-3,5,7-9,15,17-18,22H,4,6,10-14,16H2/t17-/m1/s1.
What are the key properties of N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 497.66 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 41312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).