1-(2-methylbutylsulfonyl)piperidin-3-ol

C10H21NO3S — CID 111439844

IUPAC1-(2-methylbutylsulfonyl)piperidin-3-ol
SMILESCCC(C)CS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C10H21NO3S/c1-3-9(2)8-15(13,14)11-6-4-5-10(12)7-11/h9-10,12H,3-8H2,1-2H3
InChIKeyCEWBLTDUQHPNGS-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds4

About 1-(2-methylbutylsulfonyl)piperidin-3-ol

1-(2-methylbutylsulfonyl)piperidin-3-ol (PubChem CID 111439844) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2-methylbutylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-methylbutylsulfonyl)piperidin-3-ol
PubChem CID111439844
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(2-methylbutylsulfonyl)piperidin-3-ol
SMILESCCC(C)CS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C10H21NO3S/c1-3-9(2)8-15(13,14)11-6-4-5-10(12)7-11/h9-10,12H,3-8H2,1-2H3
InChIKeyCEWBLTDUQHPNGS-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol
CID 107225038
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
CID 119962777
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959284
2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide
CID 95626033
3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
CID 93086343
(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol
CID 130618905
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylsulfonyl)piperidin-3-ol?
The IUPAC name of 1-(2-methylbutylsulfonyl)piperidin-3-ol (CID 111439844) is 1-(2-methylbutylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-methylbutylsulfonyl)piperidin-3-ol?
The canonical SMILES for 1-(2-methylbutylsulfonyl)piperidin-3-ol is CCC(C)CS(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(2-methylbutylsulfonyl)piperidin-3-ol?
The InChIKey is CEWBLTDUQHPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-9(2)8-15(13,14)11-6-4-5-10(12)7-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylbutylsulfonyl)piperidin-3-ol?
1-(2-methylbutylsulfonyl)piperidin-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 111439844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).