ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C12H25N3O2S — CID 176959658

IUPACethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC.CN1CCN(C(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C10H19N3O2S.C2H6/c1-11-2-4-12(5-3-11)10(14)13-6-8-16(15)9-7-13;1-2/h2-9H2,1H3;1-2H3
InChIKeyQVKIFOWCTDFCJY-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.44
Rot. Bonds

About ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 176959658) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Nameethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID176959658
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Nameethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC.CN1CCN(C(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C10H19N3O2S.C2H6/c1-11-2-4-12(5-3-11)10(14)13-6-8-16(15)9-7-13;1-2/h2-9H2,1H3;1-2H3
InChIKeyQVKIFOWCTDFCJY-UHFFFAOYSA-N
XLogP0.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 144802030
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
1-(1-oxo-1,4-thiazepan-4-yl)ethanone
CID 118104177
(3-aminopiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 131532864
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 116654802
1-(1-oxo-1,4-thiazinan-4-yl)but-2-en-1-one
CID 78952144
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 176959658) is ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is CC.CN1CCN(C(=O)N2CCS(=O)CC2)CC1.
What is the InChIKey of ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is QVKIFOWCTDFCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.C2H6/c1-11-2-4-12(5-3-11)10(14)13-6-8-16(15)9-7-13;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 275.42 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 176959658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).