1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine

C15H23NO3S — CID 116521375

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
SMILESCC1(C)CCC(CNCc2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C15H23NO3S/c1-15(2)9-8-13(19-15)11-16-10-12-4-6-14(7-5-12)20(3,17)18/h4-7,13,16H,8-11H2,1-3H3
InChIKeyJNSPMDCVTMZHEH-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.14
Rot. Bonds5

About 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine

1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine (PubChem CID 116521375) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
PubChem CID116521375
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
SMILESCC1(C)CCC(CNCc2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C15H23NO3S/c1-15(2)9-8-13(19-15)11-16-10-12-4-6-14(7-5-12)20(3,17)18/h4-7,13,16H,8-11H2,1-3H3
InChIKeyJNSPMDCVTMZHEH-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 6458264
N-(2-Methoxyethyl)-N-(1-(4-(methylsulfonyl)phenyl)ethyl)amine
CID 2761120
N-[(4-methylsulfanylphenyl)methyl]-2-morpholin-4-ylsulfonylethanamine
CID 72022566
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
CID 75536666
(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156808
(4S)-N-[(2-methylsulfonylphenyl)methyl]-1-oxaspiro[4.4]nonan-4-amine
CID 164642316
4-fluoro-6-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)piperidin-2-amine
CID 156169618
N-[(5-fluorooxolan-2-yl)methyl]-6-(4-methylsulfonylphenyl)piperidin-2-amine
CID 156169948
3-fluoro-6-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)piperidin-2-amine
CID 156170061
5-fluoro-1-methyl-6-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)piperidin-2-amine
CID 156650334
1-(oxolan-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 43101228
1-(oxolan-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 43179173

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine (CID 116521375) is 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine is CC1(C)CCC(CNCc2ccc(S(C)(=O)=O)cc2)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The InChIKey is JNSPMDCVTMZHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(2)9-8-13(19-15)11-16-10-12-4-6-14(7-5-12)20(3,17)18/h4-7,13,16H,8-11H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine?
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine is sourced from PubChem (CID 116521375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).