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

C18H22N2O3S2 — CID 124776614

IUPACN-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CO[C@H]2CN(Cc3ccsc3)C[C@@H]12)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c21-25(22,16-4-2-1-3-5-16)19-8-15-12-23-18-11-20(10-17(15)18)9-14-6-7-24-13-14/h1-7,13,15,17-19H,8-12H2/t15-,17+,18+/m1/s1
InChIKeyJWOIASXNCHAIBW-NJAFHUGGSA-N
MW378.52 g/mol
LogP2.17
Rot. Bonds6

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

N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide (PubChem CID 124776614) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide
PubChem CID124776614
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CO[C@H]2CN(Cc3ccsc3)C[C@@H]12)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c21-25(22,16-4-2-1-3-5-16)19-8-15-12-23-18-11-20(10-17(15)18)9-14-6-7-24-13-14/h1-7,13,15,17-19H,8-12H2/t15-,17+,18+/m1/s1
InChIKeyJWOIASXNCHAIBW-NJAFHUGGSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124782904
N-[[(3S,3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide
CID 124798009
N-[[(3S,3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155856013
N-[[(3S,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 171693507
N-[[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155853502
N-[[(3R,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853274
2-[(3S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 97482678
2-[(3S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155848057
2-[(3S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyrazin-2-ylacetamide
CID 97482547
N-[[(3R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124815695
N-[[(3S,3aS,6aS)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155849434
N-[[(3R,3aS,6aS)-5-(quinolin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124782527

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide (CID 124776614) is N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@@H]1CO[C@H]2CN(Cc3ccsc3)C[C@@H]12)c1ccccc1.
What is the InChIKey of N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide?
The InChIKey is JWOIASXNCHAIBW-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-25(22,16-4-2-1-3-5-16)19-8-15-12-23-18-11-20(10-17(15)18)9-14-6-7-24-13-14/h1-7,13,15,17-19H,8-12H2/t15-,17+,18+/m1/s1.
What are the key properties of N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide?
N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aR,6aR)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 124776614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).