6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C12H21N5O2S — CID 79361445

IUPAC6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)N1CCN(CC2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C12H21N5O2S/c1-20(18,19)17-4-2-16(3-5-17)8-10-6-11-12(7-13-10)15-9-14-11/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyLNKXPVVQEASWBT-UHFFFAOYSA-N
MW299.40 g/mol
LogP-1.00
Rot. Bonds3

About 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 79361445) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID79361445
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)N1CCN(CC2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C12H21N5O2S/c1-20(18,19)17-4-2-16(3-5-17)8-10-6-11-12(7-13-10)15-9-14-11/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyLNKXPVVQEASWBT-UHFFFAOYSA-N
XLogP-1.00
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 79361445) is 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CS(=O)(=O)N1CCN(CC2Cc3nc[nH]c3CN2)CC1.
What is the InChIKey of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is LNKXPVVQEASWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-20(18,19)17-4-2-16(3-5-17)8-10-6-11-12(7-13-10)15-9-14-11/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 299.40 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 79361445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).