2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide

C11H17N5O2S — CID 62993614

IUPAC2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H17N5O2S/c1-19(17,18)16-7-5-15(6-8-16)11-9(10(12)13)3-2-4-14-11/h2-4H,5-8H2,1H3,(H3,12,13)
InChIKeyHEXSGBITLDSBRM-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.55
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide

2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide (PubChem CID 62993614) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide
PubChem CID62993614
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H17N5O2S/c1-19(17,18)16-7-5-15(6-8-16)11-9(10(12)13)3-2-4-14-11/h2-4H,5-8H2,1H3,(H3,12,13)
InChIKeyHEXSGBITLDSBRM-UHFFFAOYSA-N
XLogP-0.55
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide (CID 62993614) is 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide?
The InChIKey is HEXSGBITLDSBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-19(17,18)16-7-5-15(6-8-16)11-9(10(12)13)3-2-4-14-11/h2-4H,5-8H2,1H3,(H3,12,13).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide?
2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide has a molecular weight of 283.36 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 62993614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).