2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide

C14H19NO2S — CID 3570656

IUPAC2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO2S/c16-14(15-9-13-7-4-8-17-13)11-18-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKeyKAGJZQBUMZSECW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.21
Rot. Bonds6

About 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3570656) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3570656
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO2S/c16-14(15-9-13-7-4-8-17-13)11-18-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16)
InChIKeyKAGJZQBUMZSECW-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3570656) is 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide is O=C(CSCc1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KAGJZQBUMZSECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(15-9-13-7-4-8-17-13)11-18-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,15,16).
What are the key properties of 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3570656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).