2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

C11H22N2O4S — CID 104593410

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCC(O)CNCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S/c1-9(14)7-12-3-4-13-11(15)6-10-2-5-18(16,17)8-10/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyPOXORHKAVPJILZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-1.10
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (PubChem CID 104593410) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
PubChem CID104593410
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCC(O)CNCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O4S/c1-9(14)7-12-3-4-13-11(15)6-10-2-5-18(16,17)8-10/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyPOXORHKAVPJILZ-UHFFFAOYSA-N
XLogP-1.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
CID 107299589
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-(1,1-dioxothiolan-3-yl)-N-pent-3-ynylacetamide
CID 115977379
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281062
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281064
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60747544
3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252269
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (CID 104593410) is 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is CC(O)CNCCNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The InChIKey is POXORHKAVPJILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(14)7-12-3-4-13-11(15)6-10-2-5-18(16,17)8-10/h9-10,12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide has a molecular weight of 278.37 g/mol, XLogP of -1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is sourced from PubChem (CID 104593410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).