(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C15H22N2O4S2 — CID 97421150

IUPAC(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1nc(COC[C@]23COC[C@H]2CN(S(=O)(=O)C2CC2)C3)cs1
InChIInChI=1S/C15H22N2O4S2/c1-11-16-13(7-22-11)6-21-10-15-8-17(4-12(15)5-20-9-15)23(18,19)14-2-3-14/h7,12,14H,2-6,8-10H2,1H3/t12-,15+/m1/s1
InChIKeyGZBNPKNFZFNQAT-DOMZBBRYSA-N
MW358.49 g/mol
LogP1.41
Rot. Bonds6

About (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97421150) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97421150
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1nc(COC[C@]23COC[C@H]2CN(S(=O)(=O)C2CC2)C3)cs1
InChIInChI=1S/C15H22N2O4S2/c1-11-16-13(7-22-11)6-21-10-15-8-17(4-12(15)5-20-9-15)23(18,19)14-2-3-14/h7,12,14H,2-6,8-10H2,1H3/t12-,15+/m1/s1
InChIKeyGZBNPKNFZFNQAT-DOMZBBRYSA-N
XLogP1.41
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

[(3aS,6aS)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 124810349
[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyridin-2-ylmethanone
CID 97484600
(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155833991
(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124792510
(3R,3aR,6aS)-1-cyclopropylsulfonyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97459621
4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 124798965
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-sulfonamide
CID 97420968
3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 124797600
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97475888
4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 131655530
(3aR,6aR)-5-cyclopropylsulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97422279
(3aR,6aR)-5-cyclobutyl-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155849756

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97421150) is (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1nc(COC[C@]23COC[C@H]2CN(S(=O)(=O)C2CC2)C3)cs1.
What is the InChIKey of (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is GZBNPKNFZFNQAT-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-11-16-13(7-22-11)6-21-10-15-8-17(4-12(15)5-20-9-15)23(18,19)14-2-3-14/h7,12,14H,2-6,8-10H2,1H3/t12-,15+/m1/s1.
What are the key properties of (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 358.49 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97421150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).