3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide

C10H22N4O2S — CID 62993961

IUPAC3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N4O2S/c1-3-9(8-10(11)12)13-4-6-14(7-5-13)17(2,15)16/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyCNWBNXIUCPOWCZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP-0.33
Rot. Bonds5

About 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide

3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide (PubChem CID 62993961) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide
PubChem CID62993961
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N4O2S/c1-3-9(8-10(11)12)13-4-6-14(7-5-13)17(2,15)16/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyCNWBNXIUCPOWCZ-UHFFFAOYSA-N
XLogP-0.33
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide (CID 62993961) is 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide?
The InChIKey is CNWBNXIUCPOWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-3-9(8-10(11)12)13-4-6-14(7-5-13)17(2,15)16/h9H,3-8H2,1-2H3,(H3,11,12).
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide?
3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide has a molecular weight of 262.38 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 62993961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).