[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

C15H16F3NO4S — CID 95554847

IUPAC[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCO[C@H](C(F)(F)F)C1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16F3NO4S/c16-15(17,18)12-10-19(8-9-23-12)13(20)14(6-7-14)24(21,22)11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKeySIQKTMKOLUFHRB-LBPRGKRZSA-N
MW363.36 g/mol
LogP1.78
Rot. Bonds3

About [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95554847) has the molecular formula C15H16F3NO4S and a molecular weight of 363.36 g/mol. Its IUPAC name is [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95554847
Molecular FormulaC15H16F3NO4S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC Name[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCO[C@H](C(F)(F)F)C1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H16F3NO4S/c16-15(17,18)12-10-19(8-9-23-12)13(20)14(6-7-14)24(21,22)11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKeySIQKTMKOLUFHRB-LBPRGKRZSA-N
XLogP1.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-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

[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone
CID 176759270
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4110791
[1-(benzenesulfonyl)cyclopropyl]-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)methanone
CID 155959416
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
CID 56880926
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95509697
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95399137

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95554847) is [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(N1CCO[C@H](C(F)(F)F)C1)C1(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is SIQKTMKOLUFHRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16F3NO4S/c16-15(17,18)12-10-19(8-9-23-12)13(20)14(6-7-14)24(21,22)11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1.
What are the key properties of [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 363.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95554847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).