[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol

C10H20ClNO3S — CID 116814735

IUPAC[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(CCCCCl)N1CCCCC1CO
InChIInChI=1S/C10H20ClNO3S/c11-6-2-4-8-16(14,15)12-7-3-1-5-10(12)9-13/h10,13H,1-9H2
InChIKeyHQSJWMPONIFBLC-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.18
Rot. Bonds6

About [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol

[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol (PubChem CID 116814735) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
PubChem CID116814735
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(CCCCCl)N1CCCCC1CO
InChIInChI=1S/C10H20ClNO3S/c11-6-2-4-8-16(14,15)12-7-3-1-5-10(12)9-13/h10,13H,1-9H2
InChIKeyHQSJWMPONIFBLC-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
3-[2-(hydroxymethyl)azepan-1-yl]sulfonylpropanoic acid
CID 116634341
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
CID 43578571
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
[1-(3-fluoropropylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969134

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol (CID 116814735) is [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol is O=S(=O)(CCCCCl)N1CCCCC1CO.
What is the InChIKey of [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol?
The InChIKey is HQSJWMPONIFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-6-2-4-8-16(14,15)12-7-3-1-5-10(12)9-13/h10,13H,1-9H2.
What are the key properties of [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol?
[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol 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 [1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol is sourced from PubChem (CID 116814735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).