azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone

C17H24N2O4S — CID 99938997

IUPACazetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone
SMILESCOC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)C1
InChIInChI=1S/C17H24N2O4S/c1-23-13-14-5-3-10-19(12-14)24(21,22)16-7-2-6-15(11-16)17(20)18-8-4-9-18/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3/t14-/m1/s1
InChIKeyNBLKVOKHHZXSQB-CQSZACIVSA-N
MW352.46 g/mol
LogP1.58
Rot. Bonds5

About azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone

azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone (PubChem CID 99938997) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone
PubChem CID99938997
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Nameazetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone
SMILESCOC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)C1
InChIInChI=1S/C17H24N2O4S/c1-23-13-14-5-3-10-19(12-14)24(21,22)16-7-2-6-15(11-16)17(20)18-8-4-9-18/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3/t14-/m1/s1
InChIKeyNBLKVOKHHZXSQB-CQSZACIVSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(azetidin-1-ylsulfonyl)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 72920384
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
methyl 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoate
CID 142526570
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119647438
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
[3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonylphenyl]-thiomorpholin-4-ylmethanone
CID 72885028

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone?
The IUPAC name of azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone (CID 99938997) is azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone?
The canonical SMILES for azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone is COC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)C1.
What is the InChIKey of azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone?
The InChIKey is NBLKVOKHHZXSQB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-23-13-14-5-3-10-19(12-14)24(21,22)16-7-2-6-15(11-16)17(20)18-8-4-9-18/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone?
azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone has a molecular weight of 352.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone is sourced from PubChem (CID 99938997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).