2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol

C12H26N2O3S — CID 75400468

IUPAC2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
SMILESCCCCS(=O)(=O)N1CCN(C(C)(C)CO)CC1
InChIInChI=1S/C12H26N2O3S/c1-4-5-10-18(16,17)14-8-6-13(7-9-14)12(2,3)11-15/h15H,4-11H2,1-3H3
InChIKeyQREBNLMDDBQBKE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.50
Rot. Bonds6

About 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol

2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol (PubChem CID 75400468) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
PubChem CID75400468
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
SMILESCCCCS(=O)(=O)N1CCN(C(C)(C)CO)CC1
InChIInChI=1S/C12H26N2O3S/c1-4-5-10-18(16,17)14-8-6-13(7-9-14)12(2,3)11-15/h15H,4-11H2,1-3H3
InChIKeyQREBNLMDDBQBKE-UHFFFAOYSA-N
XLogP0.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-butylsulfonylpiperazine
CID 113074851
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
1-butylsulfonylpiperazine
CID 16769079
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-methylbutan-1-one
CID 110797381
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone
CID 110365678
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266
N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012657

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol (CID 75400468) is 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol is CCCCS(=O)(=O)N1CCN(C(C)(C)CO)CC1.
What is the InChIKey of 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol?
The InChIKey is QREBNLMDDBQBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-5-10-18(16,17)14-8-6-13(7-9-14)12(2,3)11-15/h15H,4-11H2,1-3H3.
What are the key properties of 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol?
2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 75400468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).