2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole

C14H18N2O3S — CID 110759784

IUPAC2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
SMILESCc1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2o1
InChIInChI=1S/C14H18N2O3S/c1-10-5-7-16(8-6-10)20(17,18)12-3-4-13-14(9-12)19-11(2)15-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMTQPSUYSZICQMI-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.56
Rot. Bonds2

About 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole

2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole (PubChem CID 110759784) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
PubChem CID110759784
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
SMILESCc1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2o1
InChIInChI=1S/C14H18N2O3S/c1-10-5-7-16(8-6-10)20(17,18)12-3-4-13-14(9-12)19-11(2)15-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMTQPSUYSZICQMI-UHFFFAOYSA-N
XLogP2.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole 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

2-methyl-6-(3-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759837
2-methyl-6-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazole
CID 166219740
1-[4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 110796415
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26698015
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole (CID 110759784) is 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole is Cc1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2o1.
What is the InChIKey of 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole?
The InChIKey is MTQPSUYSZICQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-5-7-16(8-6-10)20(17,18)12-3-4-13-14(9-12)19-11(2)15-13/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole?
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole has a molecular weight of 294.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole is sourced from PubChem (CID 110759784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).