(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine

C16H25NO2S — CID 96540298

IUPAC(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
SMILESC[C@@]1(c2ccccc2)CCCN(CCCS(C)(=O)=O)C1
InChIInChI=1S/C16H25NO2S/c1-16(15-8-4-3-5-9-15)10-6-11-17(14-16)12-7-13-20(2,18)19/h3-5,8-9H,6-7,10-14H2,1-2H3/t16-/m1/s1
InChIKeyIBYJAPUYKFQUJH-MRXNPFEDSA-N
MW295.45 g/mol
LogP2.47
Rot. Bonds5

About (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine

(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine (PubChem CID 96540298) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
PubChem CID96540298
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
SMILESC[C@@]1(c2ccccc2)CCCN(CCCS(C)(=O)=O)C1
InChIInChI=1S/C16H25NO2S/c1-16(15-8-4-3-5-9-15)10-6-11-17(14-16)12-7-13-20(2,18)19/h3-5,8-9H,6-7,10-14H2,1-2H3/t16-/m1/s1
InChIKeyIBYJAPUYKFQUJH-MRXNPFEDSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
CID 96540288
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
N-methyl-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]-N-phenylacetamide
CID 97120184
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183
(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
CID 99103988
4-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one
CID 154850110
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64834039
N-methyl-1-[3-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]methanamine
CID 106318641
3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
CID 126539787

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine?
The IUPAC name of (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine (CID 96540298) is (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine.
What is the SMILES notation for (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine?
The canonical SMILES for (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine is C[C@@]1(c2ccccc2)CCCN(CCCS(C)(=O)=O)C1.
What is the InChIKey of (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine?
The InChIKey is IBYJAPUYKFQUJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(15-8-4-3-5-9-15)10-6-11-17(14-16)12-7-13-20(2,18)19/h3-5,8-9H,6-7,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine?
(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine has a molecular weight of 295.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine is sourced from PubChem (CID 96540298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).