N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide

C15H18N2O3S — CID 164635600

IUPACN-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)c(C)o1
InChIInChI=1S/C15H18N2O3S/c1-10-8-14(11(2)20-10)21(18,19)17-15(12-5-6-12)13-4-3-7-16-9-13/h3-4,7-9,12,15,17H,5-6H2,1-2H3/t15-/m0/s1
InChIKeyRMIGBXGAVCKPGC-HNNXBMFYSA-N
MW306.39 g/mol
LogP2.72
Rot. Bonds5

About N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide

N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 164635600) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
PubChem CID164635600
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)c(C)o1
InChIInChI=1S/C15H18N2O3S/c1-10-8-14(11(2)20-10)21(18,19)17-15(12-5-6-12)13-4-3-7-16-9-13/h3-4,7-9,12,15,17H,5-6H2,1-2H3/t15-/m0/s1
InChIKeyRMIGBXGAVCKPGC-HNNXBMFYSA-N
XLogP2.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide (CID 164635600) is N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide is Cc1cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)c(C)o1.
What is the InChIKey of N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is RMIGBXGAVCKPGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-8-14(11(2)20-10)21(18,19)17-15(12-5-6-12)13-4-3-7-16-9-13/h3-4,7-9,12,15,17H,5-6H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide?
N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(pyridin-3-yl)methyl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 164635600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).