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

C15H29NO4S — CID 79592858

IUPAC2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
SMILESCC(C)OCCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C15H29NO4S/c1-12(2)20-10-11-21(18,19)16-9-4-3-7-14(16)13-6-5-8-15(13)17/h12-15,17H,3-11H2,1-2H3
InChIKeyACDZFZPFLSPKCA-UHFFFAOYSA-N
MW319.47 g/mol
LogP1.76
Rot. Bonds6

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

2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol (PubChem CID 79592858) has the molecular formula C15H29NO4S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
PubChem CID79592858
Molecular FormulaC15H29NO4S
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Name2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
SMILESCC(C)OCCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C15H29NO4S/c1-12(2)20-10-11-21(18,19)16-9-4-3-7-14(16)13-6-5-8-15(13)17/h12-15,17H,3-11H2,1-2H3
InChIKeyACDZFZPFLSPKCA-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol (CID 79592858) is 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol is CC(C)OCCS(=O)(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is ACDZFZPFLSPKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4S/c1-12(2)20-10-11-21(18,19)16-9-4-3-7-14(16)13-6-5-8-15(13)17/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 319.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79592858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).