2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol

C10H20ClNO3S — CID 43654461

IUPAC2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
SMILESO=S(=O)(CCCCl)N1CCCCC1CCO
InChIInChI=1S/C10H20ClNO3S/c11-6-3-9-16(14,15)12-7-2-1-4-10(12)5-8-13/h10,13H,1-9H2
InChIKeyOMFMAPFSAWAXHQ-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.18
Rot. Bonds6

About 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol

2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol (PubChem CID 43654461) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
PubChem CID43654461
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
SMILESO=S(=O)(CCCCl)N1CCCCC1CCO
InChIInChI=1S/C10H20ClNO3S/c11-6-3-9-16(14,15)12-7-2-1-4-10(12)5-8-13/h10,13H,1-9H2
InChIKeyOMFMAPFSAWAXHQ-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.18
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

[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
CID 116814735
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
2-(2-hydroxyethyl)piperidine-1-sulfonamide
CID 112689810
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
2-(2-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 79601215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol (CID 43654461) is 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol is O=S(=O)(CCCCl)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol?
The InChIKey is OMFMAPFSAWAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-6-3-9-16(14,15)12-7-2-1-4-10(12)5-8-13/h10,13H,1-9H2.
What are the key properties of 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol?
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol has a molecular weight of 269.79 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 43654461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).