N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide

C10H19NO4S — CID 79210223

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c12-5-2-1-3-10(13)11-7-9-4-6-16(14,15)8-9/h9,12H,1-8H2,(H,11,13)
InChIKeyLQACSMFCAWNTRZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.30
Rot. Bonds6

About N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide

N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide (PubChem CID 79210223) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
PubChem CID79210223
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c12-5-2-1-3-10(13)11-7-9-4-6-16(14,15)8-9/h9,12H,1-8H2,(H,11,13)
InChIKeyLQACSMFCAWNTRZ-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.30
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-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518
5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 62132707
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61057544
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
CID 79208918
4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 94025781
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 94025780
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86903702
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
3-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]propanoic acid
CID 62131103
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
6-[(1,1-dioxothiolan-3-yl)methylcarbamoyloxy]hexyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 43828162

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide (CID 79210223) is N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide is O=C(CCCCO)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide?
The InChIKey is LQACSMFCAWNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-5-2-1-3-10(13)11-7-9-4-6-16(14,15)8-9/h9,12H,1-8H2,(H,11,13).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide has a molecular weight of 249.33 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide is sourced from PubChem (CID 79210223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).