(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C16H22N2O2S — CID 97364896

IUPAC(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1
InChIInChI=1S/C16H22N2O2S/c19-16(17-13-1-2-13)14-7-12-3-5-18(9-15(12)20-14)8-11-4-6-21-10-11/h4,6,10,12-15H,1-3,5,7-9H2,(H,17,19)/t12-,14-,15-/m0/s1
InChIKeyUCVQFRRXAMLXGR-QEJZJMRPSA-N
MW306.43 g/mol
LogP2.01
Rot. Bonds4

About (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97364896) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97364896
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1
InChIInChI=1S/C16H22N2O2S/c19-16(17-13-1-2-13)14-7-12-3-5-18(9-15(12)20-14)8-11-4-6-21-10-11/h4,6,10,12-15H,1-3,5,7-9H2,(H,17,19)/t12-,14-,15-/m0/s1
InChIKeyUCVQFRRXAMLXGR-QEJZJMRPSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(4aR,6S,7aR)-N-propan-2-yl-4-(thiophen-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-6-carboxamide
CID 97379423
(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380298
(2S,3aS,7aR)-N-cyclobutyl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97380937
N-[(3R,3aR,7aR)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]cyclopropanecarboxamide
CID 97460410
N-[(3S,3aR,7aR)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]cyclopropanecarboxamide
CID 97461341
(3aR,5R,7aR)-N-cyclopropyl-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461731
N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 118742419
(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824257
(2R,3aS,7aS)-N-propan-2-yl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155828144
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155828379
(2S,3aS,7aR)-N-(2-methoxyethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842244
(2R,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155844599

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97364896) is (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1.
What is the InChIKey of (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UCVQFRRXAMLXGR-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-16(17-13-1-2-13)14-7-12-3-5-18(9-15(12)20-14)8-11-4-6-21-10-11/h4,6,10,12-15H,1-3,5,7-9H2,(H,17,19)/t12-,14-,15-/m0/s1.
What are the key properties of (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aR)-N-cyclopropyl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97364896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).