(1-butylsulfonylpiperidin-2-yl)methanol

C10H21NO3S — CID 43574450

IUPAC(1-butylsulfonylpiperidin-2-yl)methanol
SMILESCCCCS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C10H21NO3S/c1-2-3-8-15(13,14)11-7-5-4-6-10(11)9-12/h10,12H,2-9H2,1H3
InChIKeyOYMJCDNKDHWGNO-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds5

About (1-butylsulfonylpiperidin-2-yl)methanol

(1-butylsulfonylpiperidin-2-yl)methanol (PubChem CID 43574450) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-2-yl)methanol
PubChem CID43574450
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(1-butylsulfonylpiperidin-2-yl)methanol
SMILESCCCCS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C10H21NO3S/c1-2-3-8-15(13,14)11-7-5-4-6-10(11)9-12/h10,12H,2-9H2,1H3
InChIKeyOYMJCDNKDHWGNO-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol
CID 169447956
1-[1-(2-Propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
CID 71861857
1-(1-Methylsulfonylpiperidin-2-yl)ethanol
CID 84067578
1-(1-Methylsulfonylpiperidin-2-yl)propan-1-ol
CID 84068729
(6-Methyl-1-methylsulfonylpiperidin-2-yl)methanol
CID 130667035
[(2S,6S)-6-methyl-1-methylsulfonylpiperidin-2-yl]methanol
CID 172407411
[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]methanol
CID 83059710
1-[1-(3-Fluoropropylsulfonyl)piperidin-2-yl]ethanol
CID 109866065
[1-(3-Fluoropropylsulfonyl)-3-methylpiperidin-2-yl]methanol
CID 109875211
1-[1-(3-Fluoropropylsulfonyl)piperidin-2-yl]propan-1-ol
CID 112406971
(1-(Methylsulfonyl)piperidin-2-yl)methanol
CID 3330234
(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451

Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpiperidin-2-yl)methanol?
The IUPAC name of (1-butylsulfonylpiperidin-2-yl)methanol (CID 43574450) is (1-butylsulfonylpiperidin-2-yl)methanol.
What is the SMILES notation for (1-butylsulfonylpiperidin-2-yl)methanol?
The canonical SMILES for (1-butylsulfonylpiperidin-2-yl)methanol is CCCCS(=O)(=O)N1CCCCC1CO.
What is the InChIKey of (1-butylsulfonylpiperidin-2-yl)methanol?
The InChIKey is OYMJCDNKDHWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-3-8-15(13,14)11-7-5-4-6-10(11)9-12/h10,12H,2-9H2,1H3.
What are the key properties of (1-butylsulfonylpiperidin-2-yl)methanol?
(1-butylsulfonylpiperidin-2-yl)methanol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-2-yl)methanol is sourced from PubChem (CID 43574450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).