2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol

C13H27NO3S — CID 170271382

IUPAC2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
SMILESCC(C)(O)C(C)(C)CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H27NO3S/c1-12(2,13(3,4)15)10-11-6-8-14(9-7-11)18(5,16)17/h11,15H,6-10H2,1-5H3
InChIKeyIDGFUTODEFWHOM-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.85
Rot. Bonds4

About 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol

2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol (PubChem CID 170271382) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
PubChem CID170271382
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
SMILESCC(C)(O)C(C)(C)CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H27NO3S/c1-12(2,13(3,4)15)10-11-6-8-14(9-7-11)18(5,16)17/h11,15H,6-10H2,1-5H3
InChIKeyIDGFUTODEFWHOM-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol?
The IUPAC name of 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol (CID 170271382) is 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol.
What is the SMILES notation for 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol?
The canonical SMILES for 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol is CC(C)(O)C(C)(C)CC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol?
The InChIKey is IDGFUTODEFWHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-12(2,13(3,4)15)10-11-6-8-14(9-7-11)18(5,16)17/h11,15H,6-10H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol?
2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol has a molecular weight of 277.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol is sourced from PubChem (CID 170271382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).