N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C11H19N5O4S — CID 104970942

IUPACN-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H19N5O4S/c1-21(18,19)14-7-3-6-13-10(17)9-15-11(20-16-9)8-4-2-5-12-8/h8,12,14H,2-7H2,1H3,(H,13,17)
InChIKeyMHTUHMWHZPVKCQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.84
Rot. Bonds7

About N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970942) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970942
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H19N5O4S/c1-21(18,19)14-7-3-6-13-10(17)9-15-11(20-16-9)8-4-2-5-12-8/h8,12,14H,2-7H2,1H3,(H,13,17)
InChIKeyMHTUHMWHZPVKCQ-UHFFFAOYSA-N
XLogP-0.84
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970942) is N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CS(=O)(=O)NCCCNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MHTUHMWHZPVKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-21(18,19)14-7-3-6-13-10(17)9-15-11(20-16-9)8-4-2-5-12-8/h8,12,14H,2-7H2,1H3,(H,13,17).
What are the key properties of N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).