4-decyl-1,1-dioxothiolane-2-carboxamide

C15H29NO3S — CID 154270507

IUPAC4-decyl-1,1-dioxothiolane-2-carboxamide
SMILESCCCCCCCCCCC1CC(C(N)=O)S(=O)(=O)C1
InChIInChI=1S/C15H29NO3S/c1-2-3-4-5-6-7-8-9-10-13-11-14(15(16)17)20(18,19)12-13/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeySSZCNTDHGDWVNE-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.81
Rot. Bonds10

About 4-decyl-1,1-dioxothiolane-2-carboxamide

4-decyl-1,1-dioxothiolane-2-carboxamide (PubChem CID 154270507) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-decyl-1,1-dioxothiolane-2-carboxamide.

Molecular Properties

Compound Name4-decyl-1,1-dioxothiolane-2-carboxamide
PubChem CID154270507
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name4-decyl-1,1-dioxothiolane-2-carboxamide
SMILESCCCCCCCCCCC1CC(C(N)=O)S(=O)(=O)C1
InChIInChI=1S/C15H29NO3S/c1-2-3-4-5-6-7-8-9-10-13-11-14(15(16)17)20(18,19)12-13/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeySSZCNTDHGDWVNE-UHFFFAOYSA-N
XLogP2.81
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-decyl-1,1-dioxothiolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
3-octylcyclobutane-1-carboxylic acid
CID 19430953
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
methanamine;2-(3-pentylcyclobutyl)acetic acid
CID 142181191
2-decyl-4,6-dimethylpiperidine-3-carboxamide
CID 106778721
1-cyclopropyltritriacontan-16-one
CID 175774225
heptylcyclohexane;propan-2-one
CID 143570854
carbonyl dichloride;pentylcyclohexane
CID 19977556
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of 4-decyl-1,1-dioxothiolane-2-carboxamide?
The IUPAC name of 4-decyl-1,1-dioxothiolane-2-carboxamide (CID 154270507) is 4-decyl-1,1-dioxothiolane-2-carboxamide.
What is the SMILES notation for 4-decyl-1,1-dioxothiolane-2-carboxamide?
The canonical SMILES for 4-decyl-1,1-dioxothiolane-2-carboxamide is CCCCCCCCCCC1CC(C(N)=O)S(=O)(=O)C1.
What is the InChIKey of 4-decyl-1,1-dioxothiolane-2-carboxamide?
The InChIKey is SSZCNTDHGDWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-2-3-4-5-6-7-8-9-10-13-11-14(15(16)17)20(18,19)12-13/h13-14H,2-12H2,1H3,(H2,16,17).
What are the key properties of 4-decyl-1,1-dioxothiolane-2-carboxamide?
4-decyl-1,1-dioxothiolane-2-carboxamide has a molecular weight of 303.47 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-1,1-dioxothiolane-2-carboxamide is sourced from PubChem (CID 154270507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).