(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C17H26N2OS — CID 97378976

IUPAC(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESc1cc(CN2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)cs1
InChIInChI=1S/C17H26N2OS/c1-2-6-18(5-1)11-17-16-10-19(7-3-15(16)12-20-17)9-14-4-8-21-13-14/h4,8,13,15-17H,1-3,5-7,9-12H2/t15-,16-,17+/m0/s1
InChIKeyWCIQUZNDORSWNH-YESZJQIVSA-N
MW306.47 g/mol
LogP2.68
Rot. Bonds4

About (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 97378976) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID97378976
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESc1cc(CN2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)cs1
InChIInChI=1S/C17H26N2OS/c1-2-6-18(5-1)11-17-16-10-19(7-3-15(16)12-20-17)9-14-4-8-21-13-14/h4,8,13,15-17H,1-3,5-7,9-12H2/t15-,16-,17+/m0/s1
InChIKeyWCIQUZNDORSWNH-YESZJQIVSA-N
XLogP2.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine 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

N-[[(3R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 124781020
N-[[(3R,3aS,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 125244694
N-[[(1R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 124782364
2-[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-pyridin-3-ylacetamide
CID 97474656
(3aS,7aS)-5-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97377225
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
1-[[(3R,3aS,7aS)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 124812674
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 124780598
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 97378976) is (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is c1cc(CN2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)cs1.
What is the InChIKey of (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is WCIQUZNDORSWNH-YESZJQIVSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-6-18(5-1)11-17-16-10-19(7-3-15(16)12-20-17)9-14-4-8-21-13-14/h4,8,13,15-17H,1-3,5-7,9-12H2/t15-,16-,17+/m0/s1.
What are the key properties of (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 306.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 97378976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).