2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine

C13H19NO3S — CID 115336489

IUPAC2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-10-13(7-8-17-10)14-9-11-3-5-12(6-4-11)18(2,15)16/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyYBVMCEYRWTVPHH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds4

About 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine

2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine (PubChem CID 115336489) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
PubChem CID115336489
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-10-13(7-8-17-10)14-9-11-3-5-12(6-4-11)18(2,15)16/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyYBVMCEYRWTVPHH-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
CID 82727555
(2S,3S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]oxolan-3-amine
CID 97107434
N-[(4-chloro-3-nitrophenyl)methyl]-2-methyloxolan-3-amine
CID 82725055
1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolan-3-amine
CID 115337256
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine (CID 115336489) is 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine is CC1OCCC1NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine?
The InChIKey is YBVMCEYRWTVPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-13(7-8-17-10)14-9-11-3-5-12(6-4-11)18(2,15)16/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine?
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine has a molecular weight of 269.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 115336489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).