N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide

C9H15NO3S — CID 11413303

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO3S/c1-2-5-14-6-8(11)10-7-3-4-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyQGOQPRJZGCVEQF-ZETCQYMHSA-N
MW217.29 g/mol
LogP0.56
Rot. Bonds5

About N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide

N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide (PubChem CID 11413303) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide
PubChem CID11413303
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO3S/c1-2-5-14-6-8(11)10-7-3-4-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyQGOQPRJZGCVEQF-ZETCQYMHSA-N
XLogP0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid
CID 24984346
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313
(E)-N-[(3R)-2-oxooxolan-3-yl]hex-3-enamide
CID 59127522
3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
CID 127013922
S-(aminomethyl) 3-oxo-3-[(2-oxooxolan-3-yl)amino]propanethioate
CID 126596353
N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide
CID 11173472
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide (CID 11413303) is N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide is CCCSCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide?
The InChIKey is QGOQPRJZGCVEQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-5-14-6-8(11)10-7-3-4-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide has a molecular weight of 217.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide is sourced from PubChem (CID 11413303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).