(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride

C10H15Cl3N2S — CID 120845881

IUPAC(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
SMILESC[C@H]1CN(Cc2csc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C10H14Cl2N2S.ClH/c1-7-4-14(3-2-13-7)5-8-6-15-10(12)9(8)11;/h6-7,13H,2-5H2,1H3;1H/t7-;/m0./s1
InChIKeyHSJZVGKUBJTDIN-FJXQXJEOSA-N
MW301.67 g/mol
LogP3.27
Rot. Bonds2

About (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride

(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride (PubChem CID 120845881) has the molecular formula C10H15Cl3N2S and a molecular weight of 301.67 g/mol. Its IUPAC name is (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
PubChem CID120845881
Molecular FormulaC10H15Cl3N2S
Molecular Weight301.67 g/mol
Exact Mass300.00
IUPAC Name(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
SMILESC[C@H]1CN(Cc2csc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C10H14Cl2N2S.ClH/c1-7-4-14(3-2-13-7)5-8-6-15-10(12)9(8)11;/h6-7,13H,2-5H2,1H3;1H/t7-;/m0./s1
InChIKeyHSJZVGKUBJTDIN-FJXQXJEOSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride?
The IUPAC name of (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride (CID 120845881) is (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride.
What is the SMILES notation for (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride?
The canonical SMILES for (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride is C[C@H]1CN(Cc2csc(Cl)c2Cl)CCN1.Cl.
What is the InChIKey of (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride?
The InChIKey is HSJZVGKUBJTDIN-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H14Cl2N2S.ClH/c1-7-4-14(3-2-13-7)5-8-6-15-10(12)9(8)11;/h6-7,13H,2-5H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride?
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride has a molecular weight of 301.67 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120845881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).