[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone

C10H14N2OS — CID 82705304

IUPAC[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@H]1CNCCN1C(=O)c1cccs1
InChIInChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyZXBAZKIDQGDEAA-QMMMGPOBSA-N
MW210.30 g/mol
LogP1.18
Rot. Bonds1

About [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone

[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 82705304) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID82705304
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@H]1CNCCN1C(=O)c1cccs1
InChIInChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyZXBAZKIDQGDEAA-QMMMGPOBSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705475
2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
CID 97163371
5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
CID 122147631
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 82245066
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 82705304) is [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone is C[C@H]1CNCCN1C(=O)c1cccs1.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ZXBAZKIDQGDEAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 210.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 82705304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).