3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide

C7H16N2O3S — CID 114809625

IUPAC3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C7H16N2O3S/c1-6(2)7(10)4-9(5-7)13(11,12)8-3/h6,8,10H,4-5H2,1-3H3
InChIKeyDUDYKRYHZLPIKL-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.85
Rot. Bonds3

About 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide

3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide (PubChem CID 114809625) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide
PubChem CID114809625
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C7H16N2O3S/c1-6(2)7(10)4-9(5-7)13(11,12)8-3/h6,8,10H,4-5H2,1-3H3
InChIKeyDUDYKRYHZLPIKL-UHFFFAOYSA-N
XLogP-0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide (CID 114809625) is 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide is CNS(=O)(=O)N1CC(O)(C(C)C)C1.
What is the InChIKey of 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide?
The InChIKey is DUDYKRYHZLPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)7(10)4-9(5-7)13(11,12)8-3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide?
3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 114809625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).