4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol

C16H33NO3S — CID 170271974

IUPAC4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)CC1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H33NO3S/c1-14(2,3)21(19,20)17-10-8-13(9-11-17)12-15(4,5)16(6,7)18/h13,18H,8-12H2,1-7H3
InChIKeyBFRQBEBZEMEONB-UHFFFAOYSA-N
MW319.51 g/mol
LogP3.01
Rot. Bonds4

About 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol

4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol (PubChem CID 170271974) has the molecular formula C16H33NO3S and a molecular weight of 319.51 g/mol. Its IUPAC name is 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol
PubChem CID170271974
Molecular FormulaC16H33NO3S
Molecular Weight319.51 g/mol
Exact Mass319.22
IUPAC Name4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)CC1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H33NO3S/c1-14(2,3)21(19,20)17-10-8-13(9-11-17)12-15(4,5)16(6,7)18/h13,18H,8-12H2,1-7H3
InChIKeyBFRQBEBZEMEONB-UHFFFAOYSA-N
XLogP3.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol (CID 170271974) is 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol is CC(C)(O)C(C)(C)CC1CCN(S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol?
The InChIKey is BFRQBEBZEMEONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3S/c1-14(2,3)21(19,20)17-10-8-13(9-11-17)12-15(4,5)16(6,7)18/h13,18H,8-12H2,1-7H3.
What are the key properties of 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol?
4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol has a molecular weight of 319.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylsulfonylpiperidin-4-yl)-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 170271974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).