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

C7H14N2O3S — CID 114809631

IUPAC3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C7H14N2O3S/c1-8-13(11,12)9-4-7(10,5-9)6-2-3-6/h6,8,10H,2-5H2,1H3
InChIKeyRZBPKQXYEIJYPP-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.09
Rot. Bonds3

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

3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide (PubChem CID 114809631) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
PubChem CID114809631
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C7H14N2O3S/c1-8-13(11,12)9-4-7(10,5-9)6-2-3-6/h6,8,10H,2-5H2,1H3
InChIKeyRZBPKQXYEIJYPP-UHFFFAOYSA-N
XLogP-1.09
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 ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
CID 114809636
3-cyclopropyl-3-hydroxy-N,N-dipropylazetidine-1-sulfonamide
CID 65934349
3-Cyclopropyl-1-methylsulfonylazetidin-3-ol
CID 65934558
N-butyl-3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 65935554
3-cyclopropyl-3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
CID 65936350
3-cyclopropyl-3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
CID 65937157
3-cyclopropyl-N,N-diethyl-3-hydroxyazetidine-1-sulfonamide
CID 65937352
3-hydroxy-N-methyl-3-propylazetidine-1-sulfonamide
CID 114809618
N-ethyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809619
N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809621
3-hydroxy-N,3-dipropylazetidine-1-sulfonamide
CID 114809622
3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide
CID 114809625

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide (CID 114809631) is 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide is CNS(=O)(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
The InChIKey is RZBPKQXYEIJYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-8-13(11,12)9-4-7(10,5-9)6-2-3-6/h6,8,10H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide has a molecular weight of 206.27 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide is sourced from PubChem (CID 114809631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).