N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide

C18H27N3O5S2 — CID 55655289

IUPACN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C18H27N3O5S2/c1-2-13-27(23,24)19-16-8-11-20(12-9-16)18(22)15-4-6-17(7-5-15)21-10-3-14-28(21,25)26/h4-7,16,19H,2-3,8-14H2,1H3
InChIKeyUGEHPSUZLAUDHC-UHFFFAOYSA-N
MW429.56 g/mol
LogP1.16
Rot. Bonds6

About N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55655289) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID55655289
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C18H27N3O5S2/c1-2-13-27(23,24)19-16-8-11-20(12-9-16)18(22)15-4-6-17(7-5-15)21-10-3-14-28(21,25)26/h4-7,16,19H,2-3,8-14H2,1H3
InChIKeyUGEHPSUZLAUDHC-UHFFFAOYSA-N
XLogP1.16
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide with MolForge

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Related Compounds

methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate
CID 7685654
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-[4-(4-bromopyrazol-1-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 34354125
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 38817744
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655242
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 18105399
1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carbonitrile
CID 110312572
N-[1-(3-methyl-4-nitrobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820600
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide (CID 55655289) is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1.
What is the InChIKey of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is UGEHPSUZLAUDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-2-13-27(23,24)19-16-8-11-20(12-9-16)18(22)15-4-6-17(7-5-15)21-10-3-14-28(21,25)26/h4-7,16,19H,2-3,8-14H2,1H3.
What are the key properties of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 429.56 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55655289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).