N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide

C8H15NO2S — CID 107033634

IUPACN-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CCOC1C
InChIInChI=1S/C8H15NO2S/c1-5-7(3-4-11-5)9-8(10)6(2)12/h5-7,12H,3-4H2,1-2H3,(H,9,10)
InChIKeyIRQKICBISMTGDR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.60
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide

N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide (PubChem CID 107033634) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
PubChem CID107033634
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CCOC1C
InChIInChI=1S/C8H15NO2S/c1-5-7(3-4-11-5)9-8(10)6(2)12/h5-7,12H,3-4H2,1-2H3,(H,9,10)
InChIKeyIRQKICBISMTGDR-UHFFFAOYSA-N
XLogP0.60
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
2-amino-N-(2-methyloxolan-3-yl)butanediamide
CID 82729118
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324
trans-(1R,2R)-2-methyl-N-(2-methyloxolan-3-yl)cyclopropane-1-carboxamide
CID 130637471
2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82728259
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086
2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
CID 82725687
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
CID 82726081
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide (CID 107033634) is N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide is CC(S)C(=O)NC1CCOC1C.
What is the InChIKey of N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
The InChIKey is IRQKICBISMTGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5-7(3-4-11-5)9-8(10)6(2)12/h5-7,12H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide has a molecular weight of 189.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107033634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).