3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide

C9H18N2O3S — CID 114809635

IUPAC3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C9H18N2O3S/c1-2-5-10-15(13,14)11-6-9(12,7-11)8-3-4-8/h8,10,12H,2-7H2,1H3
InChIKeyXTMFGWXSSWMKEK-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.31
Rot. Bonds5

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

3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide (PubChem CID 114809635) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide
PubChem CID114809635
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C9H18N2O3S/c1-2-5-10-15(13,14)11-6-9(12,7-11)8-3-4-8/h8,10,12H,2-7H2,1H3
InChIKeyXTMFGWXSSWMKEK-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.31
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-(3-methylpiperidin-1-yl)sulfonylazetidin-3-ol
CID 65935544
N-butyl-3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 65935554
3-Cyclopropyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylazetidin-3-ol
CID 65936148
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
N-cyclopropyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
CID 114809614
N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809617
3-hydroxy-N-methyl-3-propylazetidine-1-sulfonamide
CID 114809618
N-ethyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809619

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide (CID 114809635) is 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide is CCCNS(=O)(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide?
The InChIKey is XTMFGWXSSWMKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-5-10-15(13,14)11-6-9(12,7-11)8-3-4-8/h8,10,12H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide?
3-cyclopropyl-3-hydroxy-N-propylazetidine-1-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.31, 5 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-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114809635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).