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

C10H17N5O4S — CID 104970863

IUPACN-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C10H17N5O4S/c1-20(17,18)13-6-5-12-9(16)8-14-10(19-15-8)7-3-2-4-11-7/h7,11,13H,2-6H2,1H3,(H,12,16)
InChIKeyZGYUXKXYPBBNEE-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.23
Rot. Bonds6

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

N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970863) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970863
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC NameN-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C10H17N5O4S/c1-20(17,18)13-6-5-12-9(16)8-14-10(19-15-8)7-3-2-4-11-7/h7,11,13H,2-6H2,1H3,(H,12,16)
InChIKeyZGYUXKXYPBBNEE-UHFFFAOYSA-N
XLogP-1.23
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.23
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-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970863) is N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CS(=O)(=O)NCCNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZGYUXKXYPBBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-20(17,18)13-6-5-12-9(16)8-14-10(19-15-8)7-3-2-4-11-7/h7,11,13H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).