N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

C18H24N2O3S3 — CID 45252310

IUPACN-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C(CCCc1cccs1)N1CCCC(CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H24N2O3S3/c21-17(8-1-6-16-7-3-11-24-16)20-10-2-5-15(14-20)13-19-26(22,23)18-9-4-12-25-18/h3-4,7,9,11-12,15,19H,1-2,5-6,8,10,13-14H2
InChIKeyVZXGYZZBCQZFQN-UHFFFAOYSA-N
MW412.60 g/mol
LogP3.35
Rot. Bonds8

About N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 45252310) has the molecular formula C18H24N2O3S3 and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID45252310
Molecular FormulaC18H24N2O3S3
Molecular Weight412.60 g/mol
Exact Mass412.09
IUPAC NameN-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C(CCCc1cccs1)N1CCCC(CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H24N2O3S3/c21-17(8-1-6-16-7-3-11-24-16)20-10-2-5-15(14-20)13-19-26(22,23)18-9-4-12-25-18/h3-4,7,9,11-12,15,19H,1-2,5-6,8,10,13-14H2
InChIKeyVZXGYZZBCQZFQN-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42475731
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[[(3S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42510091
N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 25489580
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45207609
1-[(3S)-3-anilinopiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 42216952
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42557854

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 45252310) is N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is O=C(CCCc1cccs1)N1CCCC(CNS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is VZXGYZZBCQZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S3/c21-17(8-1-6-16-7-3-11-24-16)20-10-2-5-15(14-20)13-19-26(22,23)18-9-4-12-25-18/h3-4,7,9,11-12,15,19H,1-2,5-6,8,10,13-14H2.
What are the key properties of N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 412.60 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45252310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).