2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide

C14H20N2O2S — CID 115928559

IUPAC2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
SMILESCC(Nc1ccccc1SCC(N)=O)C1CCOC1
InChIInChI=1S/C14H20N2O2S/c1-10(11-6-7-18-8-11)16-12-4-2-3-5-13(12)19-9-14(15)17/h2-5,10-11,16H,6-9H2,1H3,(H2,15,17)
InChIKeyCFBSZEFAOICXLS-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.10
Rot. Bonds6

About 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide

2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide (PubChem CID 115928559) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
PubChem CID115928559
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
SMILESCC(Nc1ccccc1SCC(N)=O)C1CCOC1
InChIInChI=1S/C14H20N2O2S/c1-10(11-6-7-18-8-11)16-12-4-2-3-5-13(12)19-9-14(15)17/h2-5,10-11,16H,6-9H2,1H3,(H2,15,17)
InChIKeyCFBSZEFAOICXLS-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115916565
2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
CID 43722596
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
CID 43722576
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide (CID 115928559) is 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide is CC(Nc1ccccc1SCC(N)=O)C1CCOC1.
What is the InChIKey of 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide?
The InChIKey is CFBSZEFAOICXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(11-6-7-18-8-11)16-12-4-2-3-5-13(12)19-9-14(15)17/h2-5,10-11,16H,6-9H2,1H3,(H2,15,17).
What are the key properties of 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide?
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 115928559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).