[1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol

C10H20ClNO3S — CID 79580646

IUPAC[1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol
SMILESCC(CCl)CS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H20ClNO3S/c1-9(5-11)8-16(14,15)12-4-2-3-10(6-12)7-13/h9-10,13H,2-8H2,1H3
InChIKeyZBZPHYROXIMOEA-UHFFFAOYSA-N
MW269.79 g/mol
LogP0.90
Rot. Bonds5

About [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol

[1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 79580646) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol
PubChem CID79580646
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name[1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol
SMILESCC(CCl)CS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H20ClNO3S/c1-9(5-11)8-16(14,15)12-4-2-3-10(6-12)7-13/h9-10,13H,2-8H2,1H3
InChIKeyZBZPHYROXIMOEA-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43589616
CID 43589616
CID 43589617
CID 43589617
CID 43654169
CID 43654169
CID 43654411
CID 43654411
CID 60865130
CID 60865130
CID 61608962
CID 61608962
CID 63245563
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CID 63290011

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol (CID 79580646) is [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol is CC(CCl)CS(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is ZBZPHYROXIMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-9(5-11)8-16(14,15)12-4-2-3-10(6-12)7-13/h9-10,13H,2-8H2,1H3.
What are the key properties of [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol?
[1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 269.79 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylpropyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 79580646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).