(4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C16H20N2O4S2 — CID 122272766

IUPAC(4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC2CC1CS2
InChIInChI=1S/C16H20N2O4S2/c19-16(18-10-14-9-13(18)11-23-14)12-1-3-15(4-2-12)24(20,21)17-5-7-22-8-6-17/h1-4,13-14H,5-11H2
InChIKeyCKEMMVXEELHIOX-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.04
Rot. Bonds3

About (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122272766) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122272766
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC2CC1CS2
InChIInChI=1S/C16H20N2O4S2/c19-16(18-10-14-9-13(18)11-23-14)12-1-3-15(4-2-12)24(20,21)17-5-7-22-8-6-17/h1-4,13-14H,5-11H2
InChIKeyCKEMMVXEELHIOX-UHFFFAOYSA-N
XLogP1.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-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

[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8802986
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90590885
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
[4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 5141037
(4-morpholin-4-ylsulfonylphenyl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 2320852
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90591357
N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
CID 2882558
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24627934
methyl 5-(4-morpholin-4-ylsulfonylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565354
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90585697

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122272766) is (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC2CC1CS2.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is CKEMMVXEELHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c19-16(18-10-14-9-13(18)11-23-14)12-1-3-15(4-2-12)24(20,21)17-5-7-22-8-6-17/h1-4,13-14H,5-11H2.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122272766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).