2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C16H26N4O4S — CID 127814234

IUPAC2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CS(=O)(=O)Cc2nnc(C3CCC3)n2C)CC(C)O1
InChIInChI=1S/C16H26N4O4S/c1-11-7-20(8-12(2)24-11)15(21)10-25(22,23)9-14-17-18-16(19(14)3)13-5-4-6-13/h11-13H,4-10H2,1-3H3
InChIKeyVWRKAPXQXRWIOH-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.63
Rot. Bonds5

About 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 127814234) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID127814234
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CS(=O)(=O)Cc2nnc(C3CCC3)n2C)CC(C)O1
InChIInChI=1S/C16H26N4O4S/c1-11-7-20(8-12(2)24-11)15(21)10-25(22,23)9-14-17-18-16(19(14)3)13-5-4-6-13/h11-13H,4-10H2,1-3H3
InChIKeyVWRKAPXQXRWIOH-UHFFFAOYSA-N
XLogP0.63
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

2-benzylsulfonyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1094085
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498375
1-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 99961915
1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone
CID 86989411
2-hydroxy-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70739128
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2542713
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
5-[2-[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 99951880
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 86789085
6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one
CID 97073638

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 127814234) is 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CS(=O)(=O)Cc2nnc(C3CCC3)n2C)CC(C)O1.
What is the InChIKey of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is VWRKAPXQXRWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11-7-20(8-12(2)24-11)15(21)10-25(22,23)9-14-17-18-16(19(14)3)13-5-4-6-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 370.48 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 127814234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).