1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol

C12H19NO3S — CID 54149035

IUPAC1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)(CN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-11(2,3)12(14,9-13)17(15,16)10-7-5-4-6-8-10/h4-8,14H,9,13H2,1-3H3
InChIKeyOGKZJNLCEPYMCK-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.15
Rot. Bonds3

About 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol

1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol (PubChem CID 54149035) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol
PubChem CID54149035
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC Name1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)(CN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-11(2,3)12(14,9-13)17(15,16)10-7-5-4-6-8-10/h4-8,14H,9,13H2,1-3H3
InChIKeyOGKZJNLCEPYMCK-UHFFFAOYSA-N
XLogP1.15
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol (CID 54149035) is 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)(CN)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol?
The InChIKey is OGKZJNLCEPYMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-11(2,3)12(14,9-13)17(15,16)10-7-5-4-6-8-10/h4-8,14H,9,13H2,1-3H3.
What are the key properties of 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol?
1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(benzenesulfonyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 54149035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).