1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine

C13H26N2O3S — CID 71979573

IUPAC1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-12(2)18-10-11-19(16,17)15-8-6-14(7-9-15)13-4-3-5-13/h12-13H,3-11H2,1-2H3
InChIKeyCAOJPIWTTWDSQV-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.91
Rot. Bonds6

About 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine

1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine (PubChem CID 71979573) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
PubChem CID71979573
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-12(2)18-10-11-19(16,17)15-8-6-14(7-9-15)13-4-3-5-13/h12-13H,3-11H2,1-2H3
InChIKeyCAOJPIWTTWDSQV-UHFFFAOYSA-N
XLogP0.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide
CID 164639219
4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide
CID 67015457
1-Methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine
CID 68267400
(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine
CID 122544332
(2R)-4-ethyl-1-(2-methoxyethylsulfonyl)-2-methylpiperazine
CID 122544420
(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine
CID 134380005
3-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53621788
3-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53625102
2-[4-(2-Ethoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 63341141
1-But-2-ynyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 71981597
1-(Cyclopropylmethyl)-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 72106676
N-methyl-2-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 72106837

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
The IUPAC name of 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine (CID 71979573) is 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine.
What is the SMILES notation for 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
The canonical SMILES for 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine is CC(C)OCCS(=O)(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
The InChIKey is CAOJPIWTTWDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12(2)18-10-11-19(16,17)15-8-6-14(7-9-15)13-4-3-5-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine has a molecular weight of 290.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine is sourced from PubChem (CID 71979573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).