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

C15H24N2OS — CID 97379391

IUPAC1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(CN2C[C@H]3C[C@H](CN(C)C)O[C@H]3C2)s1
InChIInChI=1S/C15H24N2OS/c1-11-4-5-14(19-11)9-17-7-12-6-13(8-16(2)3)18-15(12)10-17/h4-5,12-13,15H,6-10H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyOYSKOGYAARAMPG-NFAWXSAZSA-N
MW280.44 g/mol
LogP2.21
Rot. Bonds4

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

1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine (PubChem CID 97379391) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
PubChem CID97379391
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(CN2C[C@H]3C[C@H](CN(C)C)O[C@H]3C2)s1
InChIInChI=1S/C15H24N2OS/c1-11-4-5-14(19-11)9-17-7-12-6-13(8-16(2)3)18-15(12)10-17/h4-5,12-13,15H,6-10H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyOYSKOGYAARAMPG-NFAWXSAZSA-N
XLogP2.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816311
1-[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155845791
2-[(2R,3aS,6aS)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
CID 97475926
(3aR,6aR)-2-[(5-methylthiophen-2-yl)methyl]-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124818082
4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione
CID 63777407
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
5-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122125506
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 70769445
N,N-dimethyl-1-[(3S,5S)-7-[(5-methylthiophen-2-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methanamine
CID 98814650
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine (CID 97379391) is 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine is Cc1ccc(CN2C[C@H]3C[C@H](CN(C)C)O[C@H]3C2)s1.
What is the InChIKey of 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is OYSKOGYAARAMPG-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-4-5-14(19-11)9-17-7-12-6-13(8-16(2)3)18-15(12)10-17/h4-5,12-13,15H,6-10H2,1-3H3/t12-,13-,15+/m1/s1.
What are the key properties of 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 280.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97379391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).