2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol

C14H27NO4S — CID 79545684

IUPAC2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
SMILESCOCCCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H27NO4S/c1-19-10-5-11-20(17,18)15-9-3-2-7-13(15)12-6-4-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyGCEQMUJTIWNSRF-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.37
Rot. Bonds6

About 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol

2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol (PubChem CID 79545684) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
PubChem CID79545684
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
SMILESCOCCCS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H27NO4S/c1-19-10-5-11-20(17,18)15-9-3-2-7-13(15)12-6-4-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyGCEQMUJTIWNSRF-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol (CID 79545684) is 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol is COCCCS(=O)(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is GCEQMUJTIWNSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-19-10-5-11-20(17,18)15-9-3-2-7-13(15)12-6-4-8-14(12)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol?
2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 305.44 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79545684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).