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

C7H16N2O3S — CID 63104577

IUPAC3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C7H16N2O3S/c1-6(2)8(3)13(11,12)9-4-7(10)5-9/h6-7,10H,4-5H2,1-3H3
InChIKeyDNNKUPWKPOUGKG-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.75
Rot. Bonds3

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

3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide (PubChem CID 63104577) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
PubChem CID63104577
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C7H16N2O3S/c1-6(2)8(3)13(11,12)9-4-7(10)5-9/h6-7,10H,4-5H2,1-3H3
InChIKeyDNNKUPWKPOUGKG-UHFFFAOYSA-N
XLogP-0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide (CID 63104577) is 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CC(O)C1.
What is the InChIKey of 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide?
The InChIKey is DNNKUPWKPOUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)8(3)13(11,12)9-4-7(10)5-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide?
3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 63104577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).