(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane

C15H18N2O3S — CID 164634150

IUPAC(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane
SMILESO=S(=O)(c1ccoc1)N1CCC[C@H](c2ccncc2)CC1
InChIInChI=1S/C15H18N2O3S/c18-21(19,15-6-11-20-12-15)17-9-1-2-13(5-10-17)14-3-7-16-8-4-14/h3-4,6-8,11-13H,1-2,5,9-10H2/t13-/m0/s1
InChIKeyXHBRYGBNEMALRY-ZDUSSCGKSA-N
MW306.39 g/mol
LogP2.63
Rot. Bonds3

About (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane

(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane (PubChem CID 164634150) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane.

Molecular Properties

Compound Name(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane
PubChem CID164634150
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane
SMILESO=S(=O)(c1ccoc1)N1CCC[C@H](c2ccncc2)CC1
InChIInChI=1S/C15H18N2O3S/c18-21(19,15-6-11-20-12-15)17-9-1-2-13(5-10-17)14-3-7-16-8-4-14/h3-4,6-8,11-13H,1-2,5,9-10H2/t13-/m0/s1
InChIKeyXHBRYGBNEMALRY-ZDUSSCGKSA-N
XLogP2.63
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane?
The IUPAC name of (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane (CID 164634150) is (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane.
What is the SMILES notation for (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane?
The canonical SMILES for (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane is O=S(=O)(c1ccoc1)N1CCC[C@H](c2ccncc2)CC1.
What is the InChIKey of (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane?
The InChIKey is XHBRYGBNEMALRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-21(19,15-6-11-20-12-15)17-9-1-2-13(5-10-17)14-3-7-16-8-4-14/h3-4,6-8,11-13H,1-2,5,9-10H2/t13-/m0/s1.
What are the key properties of (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane?
(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane has a molecular weight of 306.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane is sourced from PubChem (CID 164634150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).