(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C15H27N3O4S — CID 124783218

IUPAC(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CC[C@@H]2C[C@@H](C(=O)NCCN3CCCC3)O[C@H]2C1
InChIInChI=1S/C15H27N3O4S/c1-23(20,21)18-8-4-12-10-13(22-14(12)11-18)15(19)16-5-9-17-6-2-3-7-17/h12-14H,2-11H2,1H3,(H,16,19)/t12-,13+,14+/m1/s1
InChIKeyMVKQLBVPRLPIMA-RDBSUJKOSA-N
MW345.47 g/mol
LogP-0.36
Rot. Bonds5

About (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124783218) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID124783218
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CC[C@@H]2C[C@@H](C(=O)NCCN3CCCC3)O[C@H]2C1
InChIInChI=1S/C15H27N3O4S/c1-23(20,21)18-8-4-12-10-13(22-14(12)11-18)15(19)16-5-9-17-6-2-3-7-17/h12-14H,2-11H2,1H3,(H,16,19)/t12-,13+,14+/m1/s1
InChIKeyMVKQLBVPRLPIMA-RDBSUJKOSA-N
XLogP-0.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(2S,3aS,7aR)-N-cyclopropyl-6-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97387873
(2S,3aS,7aS)-6-cyclopropylsulfonyl-N-(2-pyridin-4-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155879446
(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97458536
(2S,3aS,7aS)-6-(dimethylsulfamoyl)-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155876589
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
(2R,3aS,7aR)-N-(cyclopropylmethyl)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366873
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124783218) is (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is CS(=O)(=O)N1CC[C@@H]2C[C@@H](C(=O)NCCN3CCCC3)O[C@H]2C1.
What is the InChIKey of (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MVKQLBVPRLPIMA-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-23(20,21)18-8-4-12-10-13(22-14(12)11-18)15(19)16-5-9-17-6-2-3-7-17/h12-14H,2-11H2,1H3,(H,16,19)/t12-,13+,14+/m1/s1.
What are the key properties of (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124783218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).