N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide

C14H19NO2S — CID 2951053

IUPACN-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO2S/c16-14(15-11-12-5-4-9-17-12)8-10-18-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,15,16)
InChIKeyCQEPCGIUCGIXDK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.46
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide

N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide (PubChem CID 2951053) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide
PubChem CID2951053
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H19NO2S/c16-14(15-11-12-5-4-9-17-12)8-10-18-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,15,16)
InChIKeyCQEPCGIUCGIXDK-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide (CID 2951053) is N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide?
The InChIKey is CQEPCGIUCGIXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(15-11-12-5-4-9-17-12)8-10-18-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide?
N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide has a molecular weight of 265.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).