5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol

C11H24N2O3S — CID 55053149

IUPAC5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
SMILESCS(=O)(=O)N1CCC(NCCCCCO)CC1
InChIInChI=1S/C11H24N2O3S/c1-17(15,16)13-8-5-11(6-9-13)12-7-3-2-4-10-14/h11-12,14H,2-10H2,1H3
InChIKeyKDNBMJLARQUGGP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.16
Rot. Bonds7

About 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol

5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 55053149) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID55053149
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
SMILESCS(=O)(=O)N1CCC(NCCCCCO)CC1
InChIInChI=1S/C11H24N2O3S/c1-17(15,16)13-8-5-11(6-9-13)12-7-3-2-4-10-14/h11-12,14H,2-10H2,1H3
InChIKeyKDNBMJLARQUGGP-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
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 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol (CID 55053149) is 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol is CS(=O)(=O)N1CCC(NCCCCCO)CC1.
What is the InChIKey of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is KDNBMJLARQUGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-17(15,16)13-8-5-11(6-9-13)12-7-3-2-4-10-14/h11-12,14H,2-10H2,1H3.
What are the key properties of 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 55053149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).