N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine

C18H23N3OS — CID 124912680

IUPACN-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
SMILESCc1ccsc1CN1C[C@H]2[C@@H](CNc3ccccn3)CO[C@H]2C1
InChIInChI=1S/C18H23N3OS/c1-13-5-7-23-17(13)11-21-9-15-14(12-22-16(15)10-21)8-20-18-4-2-3-6-19-18/h2-7,14-16H,8-12H2,1H3,(H,19,20)/t14-,15-,16-/m0/s1
InChIKeyYCAFLQQADCGACF-JYJNAYRXSA-N
MW329.47 g/mol
LogP3.01
Rot. Bonds5

About N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine

N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine (PubChem CID 124912680) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
PubChem CID124912680
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine
SMILESCc1ccsc1CN1C[C@H]2[C@@H](CNc3ccccn3)CO[C@H]2C1
InChIInChI=1S/C18H23N3OS/c1-13-5-7-23-17(13)11-21-9-15-14(12-22-16(15)10-21)8-20-18-4-2-3-6-19-18/h2-7,14-16H,8-12H2,1H3,(H,19,20)/t14-,15-,16-/m0/s1
InChIKeyYCAFLQQADCGACF-JYJNAYRXSA-N
XLogP3.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine (CID 124912680) is N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine is Cc1ccsc1CN1C[C@H]2[C@@H](CNc3ccccn3)CO[C@H]2C1.
What is the InChIKey of N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
The InChIKey is YCAFLQQADCGACF-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-7-23-17(13)11-21-9-15-14(12-22-16(15)10-21)8-20-18-4-2-3-6-19-18/h2-7,14-16H,8-12H2,1H3,(H,19,20)/t14-,15-,16-/m0/s1.
What are the key properties of N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine?
N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 124912680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).