1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol

C8H18N2O3S — CID 104594532

IUPAC1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol
SMILESCC(O)CNCCN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8(11)7-9-3-5-10-4-2-6-14(10,12)13/h8-9,11H,2-7H2,1H3
InChIKeySSUSKACCFHUYHD-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.01
Rot. Bonds5

About 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol (PubChem CID 104594532) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol
PubChem CID104594532
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol
SMILESCC(O)CNCCN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8(11)7-9-3-5-10-4-2-6-14(10,12)13/h8-9,11H,2-7H2,1H3
InChIKeySSUSKACCFHUYHD-UHFFFAOYSA-N
XLogP-1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115752044
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]prop-2-en-1-amine
CID 62566554
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
CID 61348834
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]methanesulfonamide
CID 48946668
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-methylpropanoic acid
CID 119237341
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
CID 119244358
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111226410
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
(Z)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119123191

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol (CID 104594532) is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol is CC(O)CNCCN1CCCS1(=O)=O.
What is the InChIKey of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol?
The InChIKey is SSUSKACCFHUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(11)7-9-3-5-10-4-2-6-14(10,12)13/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol?
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol has a molecular weight of 222.31 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 104594532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).