2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol

C10H23NO3S — CID 79551403

IUPAC2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
SMILESCC(C)(O)CCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(2,12)6-7-11-8-10(3,4)15(5,13)14/h11-12H,6-8H2,1-5H3
InChIKeyVYLGFBYVKDVWAI-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.56
Rot. Bonds6

About 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol

2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol (PubChem CID 79551403) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
PubChem CID79551403
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
SMILESCC(C)(O)CCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(2,12)6-7-11-8-10(3,4)15(5,13)14/h11-12H,6-8H2,1-5H3
InChIKeyVYLGFBYVKDVWAI-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol (CID 79551403) is 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol is CC(C)(O)CCNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol?
The InChIKey is VYLGFBYVKDVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2,12)6-7-11-8-10(3,4)15(5,13)14/h11-12H,6-8H2,1-5H3.
What are the key properties of 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol?
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol is sourced from PubChem (CID 79551403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).