2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol

C15H27NO4S — CID 79536144

IUPAC2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO=S(=O)(C1CCOCC1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C15H27NO4S/c17-15-6-2-1-4-13(15)14-5-3-9-16(14)21(18,19)12-7-10-20-11-8-12/h12-15,17H,1-11H2
InChIKeyZGXQSMWRAIYISJ-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.51
Rot. Bonds3

About 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 79536144) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID79536144
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO=S(=O)(C1CCOCC1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C15H27NO4S/c17-15-6-2-1-4-13(15)14-5-3-9-16(14)21(18,19)12-7-10-20-11-8-12/h12-15,17H,1-11H2
InChIKeyZGXQSMWRAIYISJ-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 79536144) is 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol is O=S(=O)(C1CCOCC1)N1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is ZGXQSMWRAIYISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c17-15-6-2-1-4-13(15)14-5-3-9-16(14)21(18,19)12-7-10-20-11-8-12/h12-15,17H,1-11H2.
What are the key properties of 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 317.45 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 79536144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).