2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine

C15H21NOS — CID 104510293

IUPAC2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine
SMILESNC1(CCSc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C15H21NOS/c16-15(8-10-17-14(15)12-6-7-12)9-11-18-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2
InChIKeyJXKYKKDFJZKZIR-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.07
Rot. Bonds5

About 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine

2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine (PubChem CID 104510293) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine
PubChem CID104510293
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine
SMILESNC1(CCSc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C15H21NOS/c16-15(8-10-17-14(15)12-6-7-12)9-11-18-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2
InChIKeyJXKYKKDFJZKZIR-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925
4-(chloromethyl)-4-(2-phenylsulfanylethyl)oxane
CID 79224280
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 106273565
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 116539879
8,8-dimethyl-N-(2-phenylsulfanylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864010
(1R,5S)-3-(2-phenylsulfanylethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 122561047
2-[1-(bromomethyl)cyclopentyl]ethylsulfanylbenzene
CID 79223410
[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
CID 79223958

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine (CID 104510293) is 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine is NC1(CCSc2ccccc2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine?
The InChIKey is JXKYKKDFJZKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-15(8-10-17-14(15)12-6-7-12)9-11-18-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2.
What are the key properties of 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine?
2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine has a molecular weight of 263.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine is sourced from PubChem (CID 104510293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).