3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine

C13H18ClNO3S — CID 110740904

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1OCC(C)(C)N1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-15(13(2,3)9-18-10)19(16,17)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyZMRLTQOEOLUUIQ-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.63
Rot. Bonds3

About 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine

3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 110740904) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID110740904
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1OCC(C)(C)N1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-15(13(2,3)9-18-10)19(16,17)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyZMRLTQOEOLUUIQ-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine 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

3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740905
2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
CID 110740910
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
CID 110644230
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine (CID 110740904) is 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine is CC1OCC(C)(C)N1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is ZMRLTQOEOLUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-15(13(2,3)9-18-10)19(16,17)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 303.81 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 110740904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).