1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol

C13H27NO4S — CID 79594908

IUPAC1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)18-8-9-19(16,17)14-7-5-4-6-13(14)10-12(3)15/h11-13,15H,4-10H2,1-3H3
InChIKeyRZWXJJQZWWBQAG-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.37
Rot. Bonds7

About 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol

1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol (PubChem CID 79594908) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
PubChem CID79594908
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)18-8-9-19(16,17)14-7-5-4-6-13(14)10-12(3)15/h11-13,15H,4-10H2,1-3H3
InChIKeyRZWXJJQZWWBQAG-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
2-(2-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 79601215
1-[1-(2-propan-2-yloxyethylsulfonyl)azepan-2-yl]propan-2-one
CID 79593615
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79592858
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 83059717
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79547052
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol (CID 79594908) is 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1S(=O)(=O)CCOC(C)C.
What is the InChIKey of 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol?
The InChIKey is RZWXJJQZWWBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-11(2)18-8-9-19(16,17)14-7-5-4-6-13(14)10-12(3)15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol?
1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol has a molecular weight of 293.43 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 79594908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).