2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C12H20N4O2S — CID 100627977

IUPAC2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CCN1
InChIInChI=1S/C12H20N4O2S/c1-10-8-16(7-5-13-10)19(17,18)12-9-15-6-3-2-4-11(15)14-12/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKeyZKSVWZLMNXEIEM-JTQLQIEISA-N
MW284.38 g/mol
LogP0.20
Rot. Bonds2

About 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 100627977) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID100627977
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CCN1
InChIInChI=1S/C12H20N4O2S/c1-10-8-16(7-5-13-10)19(17,18)12-9-15-6-3-2-4-11(15)14-12/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKeyZKSVWZLMNXEIEM-JTQLQIEISA-N
XLogP0.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 100627977) is 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is C[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CCN1.
What is the InChIKey of 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is ZKSVWZLMNXEIEM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-8-16(7-5-13-10)19(17,18)12-9-15-6-3-2-4-11(15)14-12/h9-10,13H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 284.38 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 100627977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).