furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone

C16H24N2O2S — CID 90568873

IUPACfuran-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
SMILESO=C(c1ccco1)N1CCCSCC1CN1CCCCC1
InChIInChI=1S/C16H24N2O2S/c19-16(15-6-4-10-20-15)18-9-5-11-21-13-14(18)12-17-7-2-1-3-8-17/h4,6,10,14H,1-3,5,7-9,11-13H2
InChIKeyOTYNFDVUVGEQTF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.71
Rot. Bonds3

About furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone

furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone (PubChem CID 90568873) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
PubChem CID90568873
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Namefuran-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
SMILESO=C(c1ccco1)N1CCCSCC1CN1CCCCC1
InChIInChI=1S/C16H24N2O2S/c19-16(15-6-4-10-20-15)18-9-5-11-21-13-14(18)12-17-7-2-1-3-8-17/h4,6,10,14H,1-3,5,7-9,11-13H2
InChIKeyOTYNFDVUVGEQTF-UHFFFAOYSA-N
XLogP2.71
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-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

Related Compounds

(2-bromophenyl)-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568806
(2,6-difluorophenyl)-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568447
(2-iodophenyl)-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568446
naphthalen-1-yl-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568465
(2-phenoxyphenyl)-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568740
(4-methoxyphenyl)-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568787
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
(2-phenyl-1,3-thiazol-4-yl)-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568697
[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]-quinoxalin-2-ylmethanone
CID 90568921
(5-bromo-2-chlorophenyl)-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 90568815
[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 90568960
2-phenoxy-1-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]ethanone
CID 90568472

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone?
The IUPAC name of furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone (CID 90568873) is furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone is O=C(c1ccco1)N1CCCSCC1CN1CCCCC1.
What is the InChIKey of furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone?
The InChIKey is OTYNFDVUVGEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(15-6-4-10-20-15)18-9-5-11-21-13-14(18)12-17-7-2-1-3-8-17/h4,6,10,14H,1-3,5,7-9,11-13H2.
What are the key properties of furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone?
furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]methanone is sourced from PubChem (CID 90568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).