N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide

C10H19NO2S — CID 164646624

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1CCC(C)(C)O1
InChIInChI=1S/C10H19NO2S/c1-7(14)9(12)11-6-8-4-5-10(2,3)13-8/h7-8,14H,4-6H2,1-3H3,(H,11,12)
InChIKeyWRKULZVPLIVECA-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.38
Rot. Bonds3

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide (PubChem CID 164646624) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
PubChem CID164646624
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1CCC(C)(C)O1
InChIInChI=1S/C10H19NO2S/c1-7(14)9(12)11-6-8-4-5-10(2,3)13-8/h7-8,14H,4-6H2,1-3H3,(H,11,12)
InChIKeyWRKULZVPLIVECA-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide 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

2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
3-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010962
1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 116520999
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 116522769
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
methyl 3-[(5,5-dimethyloxolan-2-yl)methylsulfinyl]-2-methylpropanoate
CID 116523172
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
1-(5,5-dimethyloxolan-2-yl)pentan-3-one
CID 116522536

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide (CID 164646624) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide?
The InChIKey is WRKULZVPLIVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(14)9(12)11-6-8-4-5-10(2,3)13-8/h7-8,14H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide is sourced from PubChem (CID 164646624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).