2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

C12H25NO3S — CID 79609275

IUPAC2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCC(C)C(C)(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S/c1-10(2)12(3,14)8-11-6-5-7-13(9-11)17(4,15)16/h10-11,14H,5-9H2,1-4H3
InChIKeyVSTAOTNWZBVPMY-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.46
Rot. Bonds4

About 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (PubChem CID 79609275) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
PubChem CID79609275
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCC(C)C(C)(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H25NO3S/c1-10(2)12(3,14)8-11-6-5-7-13(9-11)17(4,15)16/h10-11,14H,5-9H2,1-4H3
InChIKeyVSTAOTNWZBVPMY-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-Trifluoro-2-methyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116535774
1-Methylsulfonyl-3-propan-2-ylpiperidin-3-ol
CID 57829958
N-[3-(1-hydroxycyclohexyl)butyl]-N-propan-2-ylmethanesulfonamide
CID 166726899
2,3,3-Trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
4-(1-Tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol
CID 170271974
4-(1-Tert-butylsulfonylpiperidin-4-yl)-2,3-dimethylbutan-2-ol
CID 170272001
2-(1-Methylsulfonylpiperidin-3-yl)ethanol
CID 62358295
3-[(1-Methylsulfonylpiperidin-3-yl)methyl]pentan-3-ol
CID 79609274
3-Methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609280
1-Cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609281
2-Cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609286
1-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-ol
CID 79609287

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (CID 79609275) is 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is CC(C)C(C)(O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The InChIKey is VSTAOTNWZBVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(2)12(3,14)8-11-6-5-7-13(9-11)17(4,15)16/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol has a molecular weight of 263.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is sourced from PubChem (CID 79609275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).