2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide

C13H18N2O2S — CID 79941354

IUPAC2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
SMILESCC1CC(Nc2cccc(OCC(N)=O)c2)CS1
InChIInChI=1S/C13H18N2O2S/c1-9-5-11(8-18-9)15-10-3-2-4-12(6-10)17-7-13(14)16/h2-4,6,9,11,15H,5,7-8H2,1H3,(H2,14,16)
InChIKeyRDZYDNSGYOEXAZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.86
Rot. Bonds5

About 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide

2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide (PubChem CID 79941354) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
PubChem CID79941354
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
SMILESCC1CC(Nc2cccc(OCC(N)=O)c2)CS1
InChIInChI=1S/C13H18N2O2S/c1-9-5-11(8-18-9)15-10-3-2-4-12(6-10)17-7-13(14)16/h2-4,6,9,11,15H,5,7-8H2,1H3,(H2,14,16)
InChIKeyRDZYDNSGYOEXAZ-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4,4-dimethylthian-3-yl)amino]phenoxy]acetamide
CID 79947927
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
2-[3-[(2-methoxycyclohexyl)amino]phenoxy]acetamide
CID 43785927
2-[3-[(2,4,4-trimethylcyclohexyl)amino]phenoxy]acetamide
CID 81302858
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
CID 115376345
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide (CID 79941354) is 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide is CC1CC(Nc2cccc(OCC(N)=O)c2)CS1.
What is the InChIKey of 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide?
The InChIKey is RDZYDNSGYOEXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-5-11(8-18-9)15-10-3-2-4-12(6-10)17-7-13(14)16/h2-4,6,9,11,15H,5,7-8H2,1H3,(H2,14,16).
What are the key properties of 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide?
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 79941354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).