N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide

C14H21N3O3S2 — CID 124779471

IUPACN-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2)C1CC1
InChIInChI=1S/C14H21N3O3S2/c18-22(19,12-1-2-12)16-8-14-9-17(5-11(14)7-20-10-14)6-13-15-3-4-21-13/h3-4,11-12,16H,1-2,5-10H2/t11-,14+/m0/s1
InChIKeyLOPALNGCOANMPH-SMDDNHRTSA-N
MW343.47 g/mol
LogP0.67
Rot. Bonds6

About N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide

N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide (PubChem CID 124779471) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
PubChem CID124779471
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2)C1CC1
InChIInChI=1S/C14H21N3O3S2/c18-22(19,12-1-2-12)16-8-14-9-17(5-11(14)7-20-10-14)6-13-15-3-4-21-13/h3-4,11-12,16H,1-2,5-10H2/t11-,14+/m0/s1
InChIKeyLOPALNGCOANMPH-SMDDNHRTSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide (CID 124779471) is N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2)C1CC1.
What is the InChIKey of N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
The InChIKey is LOPALNGCOANMPH-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c18-22(19,12-1-2-12)16-8-14-9-17(5-11(14)7-20-10-14)6-13-15-3-4-21-13/h3-4,11-12,16H,1-2,5-10H2/t11-,14+/m0/s1.
What are the key properties of N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
N-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-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-[[(3aR,6aS)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 124779471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).