1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C16H22Cl2N2O2S2 — CID 171272709

IUPAC1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCS(=O)(=O)c1ccc([C@H](c2cccs2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C16H20N2O2S2.2ClH/c1-22(19,20)14-6-4-13(5-7-14)16(15-3-2-12-21-15)18-10-8-17-9-11-18;;/h2-7,12,16-17H,8-11H2,1H3;2*1H/t16-;;/m1../s1
InChIKeyCOGXMEIWMPEFNU-GGMCWBHBSA-N
MW409.40 g/mol
LogP2.99
Rot. Bonds4

About 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171272709) has the molecular formula C16H22Cl2N2O2S2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171272709
Molecular FormulaC16H22Cl2N2O2S2
Molecular Weight409.40 g/mol
Exact Mass408.05
IUPAC Name1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCS(=O)(=O)c1ccc([C@H](c2cccs2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C16H20N2O2S2.2ClH/c1-22(19,20)14-6-4-13(5-7-14)16(15-3-2-12-21-15)18-10-8-17-9-11-18;;/h2-7,12,16-17H,8-11H2,1H3;2*1H/t16-;;/m1../s1
InChIKeyCOGXMEIWMPEFNU-GGMCWBHBSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(R)-(5-nitrothiophen-3-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284413
1-[(S)-(4-methyl-3-nitrophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291404
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171272709) is 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is CS(=O)(=O)c1ccc([C@H](c2cccs2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is COGXMEIWMPEFNU-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H20N2O2S2.2ClH/c1-22(19,20)14-6-4-13(5-7-14)16(15-3-2-12-21-15)18-10-8-17-9-11-18;;/h2-7,12,16-17H,8-11H2,1H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 409.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171272709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).