N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide

C7H11N3O3S — CID 130747992

IUPACN-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cnoc1
InChIInChI=1S/C7H11N3O3S/c11-14(12,7-4-9-13-5-7)10-6-1-2-8-3-6/h4-6,8,10H,1-3H2
InChIKeyBHJCOTQHAUAAPG-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.69
Rot. Bonds3

About N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide

N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide (PubChem CID 130747992) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
PubChem CID130747992
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cnoc1
InChIInChI=1S/C7H11N3O3S/c11-14(12,7-4-9-13-5-7)10-6-1-2-8-3-6/h4-6,8,10H,1-3H2
InChIKeyBHJCOTQHAUAAPG-UHFFFAOYSA-N
XLogP-0.69
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
5-fluoro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
CID 95400234
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
2-methyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide
CID 104709475
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide (CID 130747992) is N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide is O=S(=O)(NC1CCNC1)c1cnoc1.
What is the InChIKey of N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide?
The InChIKey is BHJCOTQHAUAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c11-14(12,7-4-9-13-5-7)10-6-1-2-8-3-6/h4-6,8,10H,1-3H2.
What are the key properties of N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide?
N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 130747992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).