[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone

C14H18N2O4S — CID 18105399

IUPAC[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c17-14(15-7-9-20-10-8-15)12-2-4-13(5-3-12)16-6-1-11-21(16,18)19/h2-5H,1,6-11H2
InChIKeyOVQHMSCDHUTNBK-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.70
Rot. Bonds2

About [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 18105399) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID18105399
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c17-14(15-7-9-20-10-8-15)12-2-4-13(5-3-12)16-6-1-11-21(16,18)19/h2-5H,1,6-11H2
InChIKeyOVQHMSCDHUTNBK-UHFFFAOYSA-N
XLogP0.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 5307516
[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309760
1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carbonitrile
CID 110312572
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18138990
methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate
CID 7685654
5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691925
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazin-1-yl]methanone
CID 71252538
N-(3-chloro-4-methylphenyl)-4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carboxamide
CID 55971238
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[4-(hydroxymethyl)-2-methylphenyl]piperazin-1-yl]methanone
CID 71252023
[4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55587048
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone (CID 18105399) is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCOCC1.
What is the InChIKey of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is OVQHMSCDHUTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-14(15-7-9-20-10-8-15)12-2-4-13(5-3-12)16-6-1-11-21(16,18)19/h2-5H,1,6-11H2.
What are the key properties of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone?
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 310.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18105399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).