N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide

C14H22N4O4S — CID 125255328

IUPACN-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@]12COC[C@H]1CN(c1cc(OC)ncn1)C2
InChIInChI=1S/C14H22N4O4S/c1-3-23(19,20)17-7-14-8-18(5-11(14)6-22-9-14)12-4-13(21-2)16-10-15-12/h4,10-11,17H,3,5-9H2,1-2H3/t11-,14-/m1/s1
InChIKeyBJNYZVUKBKTADA-BXUZGUMPSA-N
MW342.42 g/mol
LogP-0.12
Rot. Bonds6

About N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide

N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (PubChem CID 125255328) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
PubChem CID125255328
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@]12COC[C@H]1CN(c1cc(OC)ncn1)C2
InChIInChI=1S/C14H22N4O4S/c1-3-23(19,20)17-7-14-8-18(5-11(14)6-22-9-14)12-4-13(21-2)16-10-15-12/h4,10-11,17H,3,5-9H2,1-2H3/t11-,14-/m1/s1
InChIKeyBJNYZVUKBKTADA-BXUZGUMPSA-N
XLogP-0.12
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide with MolForge

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Related Compounds

2-(6-Methoxypyrimidin-4-yl)-7-methylsulfonyl-2,7-diazaspiro[3.4]octane
CID 97472628
7-Cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
CID 97472641
7-Ethylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
CID 97472700
N-[[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837556
6-methoxy-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrimidin-4-amine
CID 50978461
N-[[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
CID 97420610
(3aR,6aS)-4-ethylsulfonyl-1-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459345
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyrrolidine-1-carboxamide
CID 97474318
N-[[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
CID 97477104
(3aR,6aS)-1-(6-methoxypyrimidin-4-yl)-4-propylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98777223
(3aR,6aS)-4-butylsulfonyl-1-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98777225
N-[[(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide
CID 124230667

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (CID 125255328) is N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@]12COC[C@H]1CN(c1cc(OC)ncn1)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The InChIKey is BJNYZVUKBKTADA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-3-23(19,20)17-7-14-8-18(5-11(14)6-22-9-14)12-4-13(21-2)16-10-15-12/h4,10-11,17H,3,5-9H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 125255328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).