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

C8H18N2O3S — CID 114809613

IUPAC3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C8H18N2O3S/c1-4-8(11)5-10(6-8)14(12,13)9-7(2)3/h7,9,11H,4-6H2,1-3H3
InChIKeyMWXSSQHMGDQINS-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.31
Rot. Bonds4

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

3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide (PubChem CID 114809613) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide
PubChem CID114809613
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C8H18N2O3S/c1-4-8(11)5-10(6-8)14(12,13)9-7(2)3/h7,9,11H,4-6H2,1-3H3
InChIKeyMWXSSQHMGDQINS-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide?
The IUPAC name of 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide (CID 114809613) is 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide is CCC1(O)CN(S(=O)(=O)NC(C)C)C1.
What is the InChIKey of 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide?
The InChIKey is MWXSSQHMGDQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-8(11)5-10(6-8)14(12,13)9-7(2)3/h7,9,11H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide?
3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-N-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 114809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).