N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide

C10H17N3O2S2 — CID 167819222

IUPACN-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(CCc2ccns2)C1
InChIInChI=1S/C10H17N3O2S2/c1-11-17(14,15)10-4-7-13(8-10)6-3-9-2-5-12-16-9/h2,5,10-11H,3-4,6-8H2,1H3
InChIKeyYPBOLBXRTXAEDJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.31
Rot. Bonds5

About N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide

N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide (PubChem CID 167819222) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide
PubChem CID167819222
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(CCc2ccns2)C1
InChIInChI=1S/C10H17N3O2S2/c1-11-17(14,15)10-4-7-13(8-10)6-3-9-2-5-12-16-9/h2,5,10-11H,3-4,6-8H2,1H3
InChIKeyYPBOLBXRTXAEDJ-UHFFFAOYSA-N
XLogP0.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide (CID 167819222) is N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(CCc2ccns2)C1.
What is the InChIKey of N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide?
The InChIKey is YPBOLBXRTXAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-11-17(14,15)10-4-7-13(8-10)6-3-9-2-5-12-16-9/h2,5,10-11H,3-4,6-8H2,1H3.
What are the key properties of N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide?
N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 167819222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).