N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine

C14H21NOS — CID 65143618

IUPACN-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)C1CCOC1
InChIInChI=1S/C14H21NOS/c1-2-15-14(12-8-9-16-10-12)11-17-13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3
InChIKeyZOURAEGOBCWYHW-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine

N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine (PubChem CID 65143618) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
PubChem CID65143618
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)C1CCOC1
InChIInChI=1S/C14H21NOS/c1-2-15-14(12-8-9-16-10-12)11-17-13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3
InChIKeyZOURAEGOBCWYHW-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-ethyl-2-(2-nitrophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755044
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104756053
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
N-[2-(1H-benzimidazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine (CID 65143618) is N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine is CCNC(CSc1ccccc1)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine?
The InChIKey is ZOURAEGOBCWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-15-14(12-8-9-16-10-12)11-17-13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine?
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine has a molecular weight of 251.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 65143618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).