2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine

C16H23NO3S — CID 103905754

IUPAC2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H23NO3S/c1-11(12-5-7-14(8-6-12)21(2,18)19)17-15-9-10-20-16(15)13-3-4-13/h5-8,11,13,15-17H,3-4,9-10H2,1-2H3
InChIKeyNMYRZELDDBKGFD-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.31
Rot. Bonds5

About 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine

2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine (PubChem CID 103905754) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine
PubChem CID103905754
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H23NO3S/c1-11(12-5-7-14(8-6-12)21(2,18)19)17-15-9-10-20-16(15)13-3-4-13/h5-8,11,13,15-17H,3-4,9-10H2,1-2H3
InChIKeyNMYRZELDDBKGFD-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
(1S,5R,6R)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124777223
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
2-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]oxolan-3-amine
CID 113349326
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
CID 103905794
1-(4-methylsulfonylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165823
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine (CID 103905754) is 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine is CC(NC1CCOC1C1CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine?
The InChIKey is NMYRZELDDBKGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11(12-5-7-14(8-6-12)21(2,18)19)17-15-9-10-20-16(15)13-3-4-13/h5-8,11,13,15-17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine?
2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine has a molecular weight of 309.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 103905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).