N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide

C14H21N3O3S2 — CID 124776611

IUPACN-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CO[C@H]2CN(Cc3nccs3)C[C@@H]12)C1CC1
InChIInChI=1S/C14H21N3O3S2/c18-22(19,11-1-2-11)16-5-10-9-20-13-7-17(6-12(10)13)8-14-15-3-4-21-14/h3-4,10-13,16H,1-2,5-9H2/t10-,12+,13+/m1/s1
InChIKeyISPLBHLZVORHNV-WXHSDQCUSA-N
MW343.47 g/mol
LogP0.67
Rot. Bonds6

About N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide

N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 124776611) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide
PubChem CID124776611
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CO[C@H]2CN(Cc3nccs3)C[C@@H]12)C1CC1
InChIInChI=1S/C14H21N3O3S2/c18-22(19,11-1-2-11)16-5-10-9-20-13-7-17(6-12(10)13)8-14-15-3-4-21-14/h3-4,10-13,16H,1-2,5-9H2/t10-,12+,13+/m1/s1
InChIKeyISPLBHLZVORHNV-WXHSDQCUSA-N
XLogP0.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide (CID 124776611) is N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@@H]1CO[C@H]2CN(Cc3nccs3)C[C@@H]12)C1CC1.
What is the InChIKey of N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is ISPLBHLZVORHNV-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c18-22(19,11-1-2-11)16-5-10-9-20-13-7-17(6-12(10)13)8-14-15-3-4-21-14/h3-4,10-13,16H,1-2,5-9H2/t10-,12+,13+/m1/s1.
What are the key properties of N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide?
N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 343.47 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 124776611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).