1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol

C12H25NO3S — CID 103878544

IUPAC1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol
SMILESCC(C)(C)CCS(=O)(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H25NO3S/c1-11(2,3)7-9-17(15,16)13-8-5-6-12(4,14)10-13/h14H,5-10H2,1-4H3
InChIKeyLOFQDNVLXMVCRX-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds3

About 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol

1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol (PubChem CID 103878544) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol
PubChem CID103878544
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol
SMILESCC(C)(C)CCS(=O)(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H25NO3S/c1-11(2,3)7-9-17(15,16)13-8-5-6-12(4,14)10-13/h14H,5-10H2,1-4H3
InChIKeyLOFQDNVLXMVCRX-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol (CID 103878544) is 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol is CC(C)(C)CCS(=O)(=O)N1CCCC(C)(O)C1.
What is the InChIKey of 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol?
The InChIKey is LOFQDNVLXMVCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2,3)7-9-17(15,16)13-8-5-6-12(4,14)10-13/h14H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol?
1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol has a molecular weight of 263.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutylsulfonyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 103878544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).