2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

C13H23N3O3S — CID 119473244

IUPAC2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1CNCCN1C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C13H23N3O3S/c1-11-8-14-2-3-16(11)13(18)10-20-9-12(17)15-4-6-19-7-5-15/h11,14H,2-10H2,1H3
InChIKeyVTVIHDCOGJBWCU-UHFFFAOYSA-N
MW301.41 g/mol
LogP-0.60
Rot. Bonds4

About 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 119473244) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID119473244
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1CNCCN1C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C13H23N3O3S/c1-11-8-14-2-3-16(11)13(18)10-20-9-12(17)15-4-6-19-7-5-15/h11,14H,2-10H2,1H3
InChIKeyVTVIHDCOGJBWCU-UHFFFAOYSA-N
XLogP-0.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
CID 120572720
2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 119916547
2-(3-methylbutylsulfanyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472598
N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-pyrrolidin-3-ylacetamide
CID 119554262
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
1-(2-methylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119472660
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
CID 120730674
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
CID 102738395
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone (CID 119473244) is 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone is CC1CNCCN1C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is VTVIHDCOGJBWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11-8-14-2-3-16(11)13(18)10-20-9-12(17)15-4-6-19-7-5-15/h11,14H,2-10H2,1H3.
What are the key properties of 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 301.41 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 119473244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).