4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol

C13H27NO3S — CID 79622724

IUPAC4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
SMILESCC(C)C(CC1CCCN(S(C)(=O)=O)C1)C(C)O
InChIInChI=1S/C13H27NO3S/c1-10(2)13(11(3)15)8-12-6-5-7-14(9-12)18(4,16)17/h10-13,15H,5-9H2,1-4H3
InChIKeyCKULDUMRMSFHIG-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.70
Rot. Bonds5

About 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol

4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol (PubChem CID 79622724) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
PubChem CID79622724
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
SMILESCC(C)C(CC1CCCN(S(C)(=O)=O)C1)C(C)O
InChIInChI=1S/C13H27NO3S/c1-10(2)13(11(3)15)8-12-6-5-7-14(9-12)18(4,16)17/h10-13,15H,5-9H2,1-4H3
InChIKeyCKULDUMRMSFHIG-UHFFFAOYSA-N
XLogP1.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
1-(2-methylpropylsulfanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609309
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79610034
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080
3-methyl-N-(2-methylpropyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79619752
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
CID 79612405
3-methoxy-N,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116720079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol?
The IUPAC name of 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol (CID 79622724) is 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol.
What is the SMILES notation for 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol?
The canonical SMILES for 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol is CC(C)C(CC1CCCN(S(C)(=O)=O)C1)C(C)O.
What is the InChIKey of 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol?
The InChIKey is CKULDUMRMSFHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-10(2)13(11(3)15)8-12-6-5-7-14(9-12)18(4,16)17/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol?
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol has a molecular weight of 277.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol is sourced from PubChem (CID 79622724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).