1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine

C15H21NO2S — CID 134861906

IUPAC1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
SMILESCC=CC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO2S/c1-3-4-14-9-11-16(12-10-14)19(17,18)15-7-5-13(2)6-8-15/h3-8,14H,9-12H2,1-2H3
InChIKeyGJKJIXPZWHYSAJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine

1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine (PubChem CID 134861906) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
PubChem CID134861906
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
SMILESCC=CC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO2S/c1-3-4-14-9-11-16(12-10-14)19(17,18)15-7-5-13(2)6-8-15/h3-8,14H,9-12H2,1-2H3
InChIKeyGJKJIXPZWHYSAJ-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 44723360
5-methyl-1-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 82247239
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108911979
(7aR,11aR)-1,4,7-tris-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[b][1,4,7]triazonine
CID 101249934
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine (CID 134861906) is 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine is CC=CC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine?
The InChIKey is GJKJIXPZWHYSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-4-14-9-11-16(12-10-14)19(17,18)15-7-5-13(2)6-8-15/h3-8,14H,9-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine?
1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine has a molecular weight of 279.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine is sourced from PubChem (CID 134861906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).