N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

C14H19N3O4S3 — CID 38170585

IUPACN-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(CN1CCSC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O4S3/c18-12(10-17-7-9-23-14(17)19)16-5-3-11(4-6-16)15-24(20,21)13-2-1-8-22-13/h1-2,8,11,15H,3-7,9-10H2
InChIKeyAACHZYLTSSLNLE-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.19
Rot. Bonds5

About N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 38170585) has the molecular formula C14H19N3O4S3 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID38170585
Molecular FormulaC14H19N3O4S3
Molecular Weight389.52 g/mol
Exact Mass389.05
IUPAC NameN-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(CN1CCSC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O4S3/c18-12(10-17-7-9-23-14(17)19)16-5-3-11(4-6-16)15-24(20,21)13-2-1-8-22-13/h1-2,8,11,15H,3-7,9-10H2
InChIKeyAACHZYLTSSLNLE-UHFFFAOYSA-N
XLogP1.19
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
CID 33172544
N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 60520173
benzyl N-[4-oxo-4-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butyl]carbamate
CID 55824769
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
CID 166406523
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 38170585) is N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is O=C(CN1CCSC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is AACHZYLTSSLNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S3/c18-12(10-17-7-9-23-14(17)19)16-5-3-11(4-6-16)15-24(20,21)13-2-1-8-22-13/h1-2,8,11,15H,3-7,9-10H2.
What are the key properties of N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 38170585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).