2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine

C15H23NO3S — CID 79927517

IUPAC2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
SMILESCC1(C)CC(Nc2cccc(S(C)(=O)=O)c2)C(C)(C)O1
InChIInChI=1S/C15H23NO3S/c1-14(2)10-13(15(3,4)19-14)16-11-7-6-8-12(9-11)20(5,17)18/h6-9,13,16H,10H2,1-5H3
InChIKeySXDDYEDRDCRPMC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.85
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine (PubChem CID 79927517) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
PubChem CID79927517
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
SMILESCC1(C)CC(Nc2cccc(S(C)(=O)=O)c2)C(C)(C)O1
InChIInChI=1S/C15H23NO3S/c1-14(2)10-13(15(3,4)19-14)16-11-7-6-8-12(9-11)20(5,17)18/h6-9,13,16H,10H2,1-5H3
InChIKeySXDDYEDRDCRPMC-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-3-[3-(sulfamoylamino)anilino]oxolane
CID 79912061
N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
CID 79908582
N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
CID 75427832
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
CID 114817465
1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone
CID 133463572
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915649
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-4H-1,4-benzoxazin-3-one
CID 79908581
N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide
CID 97230865

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine (CID 79927517) is 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine is CC1(C)CC(Nc2cccc(S(C)(=O)=O)c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine?
The InChIKey is SXDDYEDRDCRPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-14(2)10-13(15(3,4)19-14)16-11-7-6-8-12(9-11)20(5,17)18/h6-9,13,16H,10H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine has a molecular weight of 297.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine is sourced from PubChem (CID 79927517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).