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

C13H27NO3S — CID 71861857

IUPAC1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
SMILESCCC(O)C1CCCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C13H27NO3S/c1-4-13(15)12-7-5-6-8-14(12)9-10-18(16,17)11(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyOUPGIODOULTFSY-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.43
Rot. Bonds6

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

1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol (PubChem CID 71861857) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
PubChem CID71861857
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
SMILESCCC(O)C1CCCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C13H27NO3S/c1-4-13(15)12-7-5-6-8-14(12)9-10-18(16,17)11(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyOUPGIODOULTFSY-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol (CID 71861857) is 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol is CCC(O)C1CCCCN1CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol?
The InChIKey is OUPGIODOULTFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-13(15)12-7-5-6-8-14(12)9-10-18(16,17)11(2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol?
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol has a molecular weight of 277.43 g/mol, XLogP of 1.43, 6 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-ylsulfonylethyl)piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 71861857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).