(1-butylsulfonylpiperidin-3-yl)methanol

C10H21NO3S — CID 43589616

IUPAC(1-butylsulfonylpiperidin-3-yl)methanol
SMILESCCCCS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H21NO3S/c1-2-3-7-15(13,14)11-6-4-5-10(8-11)9-12/h10,12H,2-9H2,1H3
InChIKeyDZTUUVIEQAIHEK-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds5

About (1-butylsulfonylpiperidin-3-yl)methanol

(1-butylsulfonylpiperidin-3-yl)methanol (PubChem CID 43589616) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-3-yl)methanol
PubChem CID43589616
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(1-butylsulfonylpiperidin-3-yl)methanol
SMILESCCCCS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H21NO3S/c1-2-3-7-15(13,14)11-6-4-5-10(8-11)9-12/h10,12H,2-9H2,1H3
InChIKeyDZTUUVIEQAIHEK-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327

Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpiperidin-3-yl)methanol?
The IUPAC name of (1-butylsulfonylpiperidin-3-yl)methanol (CID 43589616) is (1-butylsulfonylpiperidin-3-yl)methanol.
What is the SMILES notation for (1-butylsulfonylpiperidin-3-yl)methanol?
The canonical SMILES for (1-butylsulfonylpiperidin-3-yl)methanol is CCCCS(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of (1-butylsulfonylpiperidin-3-yl)methanol?
The InChIKey is DZTUUVIEQAIHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-3-7-15(13,14)11-6-4-5-10(8-11)9-12/h10,12H,2-9H2,1H3.
What are the key properties of (1-butylsulfonylpiperidin-3-yl)methanol?
(1-butylsulfonylpiperidin-3-yl)methanol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-3-yl)methanol is sourced from PubChem (CID 43589616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).