(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide

C15H22N2O4S — CID 97396681

IUPAC(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccco2)C1
InChIInChI=1S/C15H22N2O4S/c1-2-8-22(19,20)17-6-5-15(11-17)9-13(15)14(18)16-10-12-4-3-7-21-12/h3-4,7,13H,2,5-6,8-11H2,1H3,(H,16,18)/t13-,15-/m1/s1
InChIKeySBDOBIGJFWVDHN-UKRRQHHQSA-N
MW326.42 g/mol
LogP1.35
Rot. Bonds6

About (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97396681) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97396681
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccco2)C1
InChIInChI=1S/C15H22N2O4S/c1-2-8-22(19,20)17-6-5-15(11-17)9-13(15)14(18)16-10-12-4-3-7-21-12/h3-4,7,13H,2,5-6,8-11H2,1H3,(H,16,18)/t13-,15-/m1/s1
InChIKeySBDOBIGJFWVDHN-UKRRQHHQSA-N
XLogP1.35
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide 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

(2R,3R)-5-(3-fluoro-4-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778353
N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134072540
(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492854
(2R,3S)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492855
(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42539996
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299780
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
(2R,3R)-5-(4-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778370
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
(2R,3R,6S)-6-(furan-2-ylmethylcarbamoyl)-1,1,2-trimethylspiro[2.3]hexane-2-carboxylic acid
CID 11871437
sodium trans-(1R,3S)-3-(furan-2-ylmethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 23681912
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide (CID 97396681) is (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide is CCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccco2)C1.
What is the InChIKey of (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is SBDOBIGJFWVDHN-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-8-22(19,20)17-6-5-15(11-17)9-13(15)14(18)16-10-12-4-3-7-21-12/h3-4,7,13H,2,5-6,8-11H2,1H3,(H,16,18)/t13-,15-/m1/s1.
What are the key properties of (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97396681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).