(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine

C16H25NO3S — CID 95756864

IUPAC(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
SMILESCC(C)OCc1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C16H25NO3S/c1-13(2)20-12-15-8-6-9-16(11-15)21(18,19)17-10-5-4-7-14(17)3/h6,8-9,11,13-14H,4-5,7,10,12H2,1-3H3/t14-/m1/s1
InChIKeyOSPGMVISHRVBRV-CQSZACIVSA-N
MW311.45 g/mol
LogP3.17
Rot. Bonds5

About (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine

(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine (PubChem CID 95756864) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
PubChem CID95756864
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
SMILESCC(C)OCc1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C16H25NO3S/c1-13(2)20-12-15-8-6-9-16(11-15)21(18,19)17-10-5-4-7-14(17)3/h6,8-9,11,13-14H,4-5,7,10,12H2,1-3H3/t14-/m1/s1
InChIKeyOSPGMVISHRVBRV-CQSZACIVSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 71691379
(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868
N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43506697
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
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2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829713

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
The IUPAC name of (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine (CID 95756864) is (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine is CC(C)OCc1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1.
What is the InChIKey of (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
The InChIKey is OSPGMVISHRVBRV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(2)20-12-15-8-6-9-16(11-15)21(18,19)17-10-5-4-7-14(17)3/h6,8-9,11,13-14H,4-5,7,10,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine?
(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 95756864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).