3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide

C8H20N2O3S — CID 65337471

IUPAC3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide
SMILESCC(NCCCS(N)(=O)=O)C(C)(C)O
InChIInChI=1S/C8H20N2O3S/c1-7(8(2,3)11)10-5-4-6-14(9,12)13/h7,10-11H,4-6H2,1-3H3,(H2,9,12,13)
InChIKeyCWXVKUNHSIZNGI-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.59
Rot. Bonds6

About 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide

3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide (PubChem CID 65337471) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide
PubChem CID65337471
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide
SMILESCC(NCCCS(N)(=O)=O)C(C)(C)O
InChIInChI=1S/C8H20N2O3S/c1-7(8(2,3)11)10-5-4-6-14(9,12)13/h7,10-11H,4-6H2,1-3H3,(H2,9,12,13)
InChIKeyCWXVKUNHSIZNGI-UHFFFAOYSA-N
XLogP-0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
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 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide (CID 65337471) is 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide is CC(NCCCS(N)(=O)=O)C(C)(C)O.
What is the InChIKey of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide?
The InChIKey is CWXVKUNHSIZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(8(2,3)11)10-5-4-6-14(9,12)13/h7,10-11H,4-6H2,1-3H3,(H2,9,12,13).
What are the key properties of 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide?
3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 65337471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).