N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide

C14H20N2O2S — CID 104755373

IUPACN-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(N)C2CCOC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10(17)16-12-2-4-13(5-3-12)19-9-14(15)11-6-7-18-8-11/h2-5,11,14H,6-9,15H2,1H3,(H,16,17)
InChIKeyDFPYZRXMUYSSDI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.10
Rot. Bonds5

About N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide

N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide (PubChem CID 104755373) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
PubChem CID104755373
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(N)C2CCOC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10(17)16-12-2-4-13(5-3-12)19-9-14(15)11-6-7-18-8-11/h2-5,11,14H,6-9,15H2,1H3,(H,16,17)
InChIKeyDFPYZRXMUYSSDI-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
CID 64648380
(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
CID 106848650
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
CID 82303870
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
N-[4-(pyrrolidin-3-ylmethylsulfanyl)phenyl]acetamide
CID 117033086
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide (CID 104755373) is N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(N)C2CCOC2)cc1.
What is the InChIKey of N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide?
The InChIKey is DFPYZRXMUYSSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(17)16-12-2-4-13(5-3-12)19-9-14(15)11-6-7-18-8-11/h2-5,11,14H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide?
N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 104755373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).