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

C9H18N2O3S — CID 114809621

IUPACN-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C9H18N2O3S/c1-2-5-9(12)6-11(7-9)15(13,14)10-8-3-4-8/h8,10,12H,2-7H2,1H3
InChIKeyZSHUKPFAIQDZON-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.17
Rot. Bonds5

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

N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide (PubChem CID 114809621) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
PubChem CID114809621
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C9H18N2O3S/c1-2-5-9(12)6-11(7-9)15(13,14)10-8-3-4-8/h8,10,12H,2-7H2,1H3
InChIKeyZSHUKPFAIQDZON-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dicyclopropyl-3-hydroxyazetidine-1-sulfonamide
CID 114809634
1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol
CID 77104015
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
CID 107858937
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
CID 114809610
3-cyclopropyl-N-ethyl-3-hydroxyazetidine-1-sulfonamide
CID 114809632
5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215788
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide
CID 114813369

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide (CID 114809621) is N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide is CCCC1(O)CN(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
The InChIKey is ZSHUKPFAIQDZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-5-9(12)6-11(7-9)15(13,14)10-8-3-4-8/h8,10,12H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.17, 5 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-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114809621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).