1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine

C16H25NO3S — CID 2949661

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C16H25NO3S/c1-12(2)14-8-9-15(20-4)16(11-14)21(18,19)17-10-6-5-7-13(17)3/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyDYHDYVUTZYBNAY-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.38
Rot. Bonds4

About 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine

1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine (PubChem CID 2949661) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine
PubChem CID2949661
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C16H25NO3S/c1-12(2)14-8-9-15(20-4)16(11-14)21(18,19)17-10-6-5-7-13(17)3/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyDYHDYVUTZYBNAY-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine (CID 2949661) is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine is COc1ccc(C(C)C)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is DYHDYVUTZYBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(2)14-8-9-15(20-4)16(11-14)21(18,19)17-10-6-5-7-13(17)3/h8-9,11-13H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine?
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 2949661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).