N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide

C7H14N2O3S — CID 114809607

IUPACN-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide
SMILESCC1(O)CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C7H14N2O3S/c1-7(10)4-9(5-7)13(11,12)8-6-2-3-6/h6,8,10H,2-5H2,1H3
InChIKeyVEWQPCHOMDFPHW-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.95
Rot. Bonds3

About N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide

N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide (PubChem CID 114809607) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide
PubChem CID114809607
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide
SMILESCC1(O)CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C7H14N2O3S/c1-7(10)4-9(5-7)13(11,12)8-6-2-3-6/h6,8,10H,2-5H2,1H3
InChIKeyVEWQPCHOMDFPHW-UHFFFAOYSA-N
XLogP-0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide (CID 114809607) is N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide is CC1(O)CN(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
The InChIKey is VEWQPCHOMDFPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-7(10)4-9(5-7)13(11,12)8-6-2-3-6/h6,8,10H,2-5H2,1H3.
What are the key properties of N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-hydroxy-3-methylazetidine-1-sulfonamide is sourced from PubChem (CID 114809607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).