2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

C14H25N3O3S — CID 120572720

IUPAC2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1NCCN(C(=O)CSCC(=O)N2CCOCC2)C1C
InChIInChI=1S/C14H25N3O3S/c1-11-12(2)17(4-3-15-11)14(19)10-21-9-13(18)16-5-7-20-8-6-16/h11-12,15H,3-10H2,1-2H3
InChIKeyRKNUOZYKZWQQMB-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.21
Rot. Bonds4

About 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 120572720) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID120572720
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1NCCN(C(=O)CSCC(=O)N2CCOCC2)C1C
InChIInChI=1S/C14H25N3O3S/c1-11-12(2)17(4-3-15-11)14(19)10-21-9-13(18)16-5-7-20-8-6-16/h11-12,15H,3-10H2,1-2H3
InChIKeyRKNUOZYKZWQQMB-UHFFFAOYSA-N
XLogP-0.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
CID 119473244
1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride
CID 120571341
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
CID 102738395
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
2-[(3-chlorophenyl)methylsulfanyl]-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120570751
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
CID 120730674
N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-pyrrolidin-3-ylacetamide
CID 119554262
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone (CID 120572720) is 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone is CC1NCCN(C(=O)CSCC(=O)N2CCOCC2)C1C.
What is the InChIKey of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is RKNUOZYKZWQQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11-12(2)17(4-3-15-11)14(19)10-21-9-13(18)16-5-7-20-8-6-16/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 315.44 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 120572720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).