1-tert-butylsulfonyl-4-methylpiperidin-4-ol

C10H21NO3S — CID 81103199

IUPAC1-tert-butylsulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-5-10(4,12)6-8-11/h12H,5-8H2,1-4H3
InChIKeySMAHKUUAMFPEAS-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds1

About 1-tert-butylsulfonyl-4-methylpiperidin-4-ol

1-tert-butylsulfonyl-4-methylpiperidin-4-ol (PubChem CID 81103199) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butylsulfonyl-4-methylpiperidin-4-ol
PubChem CID81103199
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-tert-butylsulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-5-10(4,12)6-8-11/h12H,5-8H2,1-4H3
InChIKeySMAHKUUAMFPEAS-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-tert-butylsulfonyl-4-methylpiperidin-4-ol (CID 81103199) is 1-tert-butylsulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butylsulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-tert-butylsulfonyl-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylsulfonyl-4-methylpiperidin-4-ol?
The InChIKey is SMAHKUUAMFPEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-5-10(4,12)6-8-11/h12H,5-8H2,1-4H3.
What are the key properties of 1-tert-butylsulfonyl-4-methylpiperidin-4-ol?
1-tert-butylsulfonyl-4-methylpiperidin-4-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).