2-methyl-1-(4-pentylphenyl)sulfonylpiperidine

C17H27NO2S — CID 3419634

IUPAC2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
SMILESCCCCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C17H27NO2S/c1-3-4-5-9-16-10-12-17(13-11-16)21(19,20)18-14-7-6-8-15(18)2/h10-13,15H,3-9,14H2,1-2H3
InChIKeyGCZOYMCTNTYEHI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.98
Rot. Bonds6

About 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine

2-methyl-1-(4-pentylphenyl)sulfonylpiperidine (PubChem CID 3419634) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
PubChem CID3419634
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
SMILESCCCCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C17H27NO2S/c1-3-4-5-9-16-10-12-17(13-11-16)21(19,20)18-14-7-6-8-15(18)2/h10-13,15H,3-9,14H2,1-2H3
InChIKeyGCZOYMCTNTYEHI-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
(3R,8aR)-3-methyl-2-(4-pentylphenyl)sulfonyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137340209
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
CID 62922384
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine?
The IUPAC name of 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine (CID 3419634) is 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine is CCCCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine?
The InChIKey is GCZOYMCTNTYEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-4-5-9-16-10-12-17(13-11-16)21(19,20)18-14-7-6-8-15(18)2/h10-13,15H,3-9,14H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine?
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine has a molecular weight of 309.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pentylphenyl)sulfonylpiperidine is sourced from PubChem (CID 3419634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).