1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine

C10H18N4O2S — CID 91837499

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine
SMILESCc1[nH]cnc1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18N4O2S/c1-9-10(12-8-11-9)7-13-3-5-14(6-4-13)17(2,15)16/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyLCUAJSOKPYHYSP-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.20
Rot. Bonds3

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine (PubChem CID 91837499) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine
PubChem CID91837499
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine
SMILESCc1[nH]cnc1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18N4O2S/c1-9-10(12-8-11-9)7-13-3-5-14(6-4-13)17(2,15)16/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyLCUAJSOKPYHYSP-UHFFFAOYSA-N
XLogP-0.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine (CID 91837499) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine is Cc1[nH]cnc1CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is LCUAJSOKPYHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-9-10(12-8-11-9)7-13-3-5-14(6-4-13)17(2,15)16/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine has a molecular weight of 258.35 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 91837499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).