2-(2-methylbutylsulfanyl)butanimidamide

C9H20N2S — CID 107750310

IUPAC2-(2-methylbutylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)C(CC)SCC(C)CC
InChIInChI=1S/C9H20N2S/c1-4-7(3)6-12-8(5-2)9(10)11/h7-8H,4-6H2,1-3H3,(H3,10,11)
InChIKeyJFHNTQUNENLYCE-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.48
Rot. Bonds6

About 2-(2-methylbutylsulfanyl)butanimidamide

2-(2-methylbutylsulfanyl)butanimidamide (PubChem CID 107750310) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)butanimidamide.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)butanimidamide
PubChem CID107750310
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-(2-methylbutylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)C(CC)SCC(C)CC
InChIInChI=1S/C9H20N2S/c1-4-7(3)6-12-8(5-2)9(10)11/h7-8H,4-6H2,1-3H3,(H3,10,11)
InChIKeyJFHNTQUNENLYCE-UHFFFAOYSA-N
XLogP2.48
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylbutylsulfanyl)butanimidamide?
The IUPAC name of 2-(2-methylbutylsulfanyl)butanimidamide (CID 107750310) is 2-(2-methylbutylsulfanyl)butanimidamide.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)butanimidamide?
The canonical SMILES for 2-(2-methylbutylsulfanyl)butanimidamide is [H]/N=C(\N)C(CC)SCC(C)CC.
What is the InChIKey of 2-(2-methylbutylsulfanyl)butanimidamide?
The InChIKey is JFHNTQUNENLYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-4-7(3)6-12-8(5-2)9(10)11/h7-8H,4-6H2,1-3H3,(H3,10,11).
What are the key properties of 2-(2-methylbutylsulfanyl)butanimidamide?
2-(2-methylbutylsulfanyl)butanimidamide has a molecular weight of 188.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)butanimidamide is sourced from PubChem (CID 107750310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).