N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide

C13H17NO2S — CID 532040

IUPACN-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1CCCO1
InChIInChI=1S/C13H17NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15)
InChIKeyHYFXXCQTXREDNT-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.07
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide

N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide (PubChem CID 532040) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide
PubChem CID532040
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1CCCO1
InChIInChI=1S/C13H17NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15)
InChIKeyHYFXXCQTXREDNT-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide (CID 532040) is N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide?
The InChIKey is HYFXXCQTXREDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide?
N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).