1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

C10H19ClN2OS2 — CID 119473247

IUPAC1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1CSCCS1.Cl
InChIInChI=1S/C10H18N2OS2.ClH/c1-8-6-11-2-3-12(8)10(13)9-7-14-4-5-15-9;/h8-9,11H,2-7H2,1H3;1H
InChIKeyUQEKUUXEDYYPMO-UHFFFAOYSA-N
MW282.86 g/mol
LogP1.08
Rot. Bonds1

About 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119473247) has the molecular formula C10H19ClN2OS2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119473247
Molecular FormulaC10H19ClN2OS2
Molecular Weight282.86 g/mol
Exact Mass282.06
IUPAC Name1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1CSCCS1.Cl
InChIInChI=1S/C10H18N2OS2.ClH/c1-8-6-11-2-3-12(8)10(13)9-7-14-4-5-15-9;/h8-9,11H,2-7H2,1H3;1H
InChIKeyUQEKUUXEDYYPMO-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
CID 80596524
[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
CID 82756247
1,4-dithian-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731635
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120803118
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119473611
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470839
5-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119470987
2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472321
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119473247) is 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)C1CSCCS1.Cl.
What is the InChIKey of 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is UQEKUUXEDYYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2.ClH/c1-8-6-11-2-3-12(8)10(13)9-7-14-4-5-15-9;/h8-9,11H,2-7H2,1H3;1H.
What are the key properties of 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119473247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).