1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine

C18H29NO2S — CID 166781858

IUPAC1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine
SMILESCC(C)Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H29NO2S/c1-14(2)12-17-13-16(15(3)4)8-9-18(17)22(20,21)19-10-6-5-7-11-19/h8-9,13-15H,5-7,10-12H2,1-4H3
InChIKeyYLHIEHXHSXCPLU-UHFFFAOYSA-N
MW323.50 g/mol
LogP4.18
Rot. Bonds5

About 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine

1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine (PubChem CID 166781858) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine
PubChem CID166781858
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC Name1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine
SMILESCC(C)Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H29NO2S/c1-14(2)12-17-13-16(15(3)4)8-9-18(17)22(20,21)19-10-6-5-7-11-19/h8-9,13-15H,5-7,10-12H2,1-4H3
InChIKeyYLHIEHXHSXCPLU-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
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1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
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1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
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1-(1-propan-2-ylnaphthalen-2-yl)sulfonylpyrrolidine
CID 10542485
2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 20896411
1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 3941719
3-methyl-1-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
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1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781
cyclopropyl-[4-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine?
The IUPAC name of 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine (CID 166781858) is 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine?
The canonical SMILES for 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine is CC(C)Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine?
The InChIKey is YLHIEHXHSXCPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-14(2)12-17-13-16(15(3)4)8-9-18(17)22(20,21)19-10-6-5-7-11-19/h8-9,13-15H,5-7,10-12H2,1-4H3.
What are the key properties of 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine?
1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine has a molecular weight of 323.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylpiperidine is sourced from PubChem (CID 166781858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).