[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone

C13H18N2O4S2 — CID 125423656

IUPAC[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC(CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H18N2O4S2/c16-13(12-2-1-7-20-12)14-8-11(9-14)10-21(17,18)15-3-5-19-6-4-15/h1-2,7,11H,3-6,8-10H2
InChIKeyLNWSJMRIUDLBOW-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.48
Rot. Bonds4

About [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone

[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 125423656) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
PubChem CID125423656
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC(CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H18N2O4S2/c16-13(12-2-1-7-20-12)14-8-11(9-14)10-21(17,18)15-3-5-19-6-4-15/h1-2,7,11H,3-6,8-10H2
InChIKeyLNWSJMRIUDLBOW-UHFFFAOYSA-N
XLogP0.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(morpholin-4-ylsulfonylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 126822086
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
[4-(chloromethylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63664693
N-[(2R)-2-hydroxypropyl]-1-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanesulfonamide
CID 125423662
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511031
[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone
CID 131687546
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 126470422

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone (CID 125423656) is [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC(CS(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is LNWSJMRIUDLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c16-13(12-2-1-7-20-12)14-8-11(9-14)10-21(17,18)15-3-5-19-6-4-15/h1-2,7,11H,3-6,8-10H2.
What are the key properties of [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone?
[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 125423656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).