azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C16H24N2O3S2 — CID 3244621

IUPACazepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCCC1
InChIInChI=1S/C16H24N2O3S2/c19-16(17-9-3-1-2-4-10-17)14-7-11-18(12-8-14)23(20,21)15-6-5-13-22-15/h5-6,13-14H,1-4,7-12H2
InChIKeyXHZWNFUDFCQHKP-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.55
Rot. Bonds3

About azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 3244621) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID3244621
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Nameazepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCCC1
InChIInChI=1S/C16H24N2O3S2/c19-16(17-9-3-1-2-4-10-17)14-7-11-18(12-8-14)23(20,21)15-6-5-13-22-15/h5-6,13-14H,1-4,7-12H2
InChIKeyXHZWNFUDFCQHKP-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone 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 azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 3244621) is azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is XHZWNFUDFCQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c19-16(17-9-3-1-2-4-10-17)14-7-11-18(12-8-14)23(20,21)15-6-5-13-22-15/h5-6,13-14H,1-4,7-12H2.
What are the key properties of azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 3244621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).