2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide

C11H21NO4S — CID 107299589

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
SMILESCC(O)CCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-9(13)3-2-5-12-11(14)7-10-4-6-17(15,16)8-10/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyNNWHPKUQGGGXGC-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.09
Rot. Bonds6

About 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide (PubChem CID 107299589) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
PubChem CID107299589
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
SMILESCC(O)CCCNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-9(13)3-2-5-12-11(14)7-10-4-6-17(15,16)8-10/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyNNWHPKUQGGGXGC-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.09
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

2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410
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-propan-2-ylacetamide
CID 171049196
2-(1,1-dioxothiolan-3-yl)-N-pent-3-ynylacetamide
CID 115977379
2-(1,1-dioxothiolan-3-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65114161
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60747544
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686590
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252269
2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793519
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62332937

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide (CID 107299589) is 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide is CC(O)CCCNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide?
The InChIKey is NNWHPKUQGGGXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(13)3-2-5-12-11(14)7-10-4-6-17(15,16)8-10/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide has a molecular weight of 263.36 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide is sourced from PubChem (CID 107299589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).