(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

C10H13ClN2OS — CID 82704719

IUPAC(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2OS/c1-7-6-12-4-5-13(7)10(14)8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3/t7-/m1/s1
InChIKeyPVVGYVYTKMGGRW-SSDOTTSWSA-N
MW244.75 g/mol
LogP1.84
Rot. Bonds1

About (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82704719) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82704719
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2OS/c1-7-6-12-4-5-13(7)10(14)8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3/t7-/m1/s1
InChIKeyPVVGYVYTKMGGRW-SSDOTTSWSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
CID 122147631
(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705475
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
CID 119470707
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736095
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471425
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705631

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82704719) is (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CNCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is PVVGYVYTKMGGRW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7-6-12-4-5-13(7)10(14)8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3/t7-/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 244.75 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82704719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).