(2-methylpiperazin-1-yl)-(thian-2-yl)methanone

C11H20N2OS — CID 80596524

IUPAC(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
SMILESCC1CNCCN1C(=O)C1CCCCS1
InChIInChI=1S/C11H20N2OS/c1-9-8-12-5-6-13(9)11(14)10-4-2-3-7-15-10/h9-10,12H,2-8H2,1H3
InChIKeyKJYLGSCBFDYKAE-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds1

About (2-methylpiperazin-1-yl)-(thian-2-yl)methanone

(2-methylpiperazin-1-yl)-(thian-2-yl)methanone (PubChem CID 80596524) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(thian-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
PubChem CID80596524
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
SMILESCC1CNCCN1C(=O)C1CCCCS1
InChIInChI=1S/C11H20N2OS/c1-9-8-12-5-6-13(9)11(14)10-4-2-3-7-15-10/h9-10,12H,2-8H2,1H3
InChIKeyKJYLGSCBFDYKAE-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dithian-2-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473247
7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
CID 82756247
6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470839
(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
CID 119473712
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 165368993
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
2-bicyclo[2.2.1]heptanyl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704906
1-[1-(thiane-2-carbonyl)piperidin-2-yl]propan-2-one
CID 80594435
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(thian-2-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(thian-2-yl)methanone (CID 80596524) is (2-methylpiperazin-1-yl)-(thian-2-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(thian-2-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(thian-2-yl)methanone is CC1CNCCN1C(=O)C1CCCCS1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(thian-2-yl)methanone?
The InChIKey is KJYLGSCBFDYKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9-8-12-5-6-13(9)11(14)10-4-2-3-7-15-10/h9-10,12H,2-8H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-(thian-2-yl)methanone?
(2-methylpiperazin-1-yl)-(thian-2-yl)methanone has a molecular weight of 228.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(thian-2-yl)methanone is sourced from PubChem (CID 80596524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).