2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide

C10H18N4S — CID 65251976

IUPAC2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCSc1cnn(C)c1
InChIInChI=1S/C10H18N4S/c1-10(2,9(11)12)4-5-15-8-6-13-14(3)7-8/h6-7H,4-5H2,1-3H3,(H3,11,12)
InChIKeyXBHGIRPGHBLIIX-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.86
Rot. Bonds5

About 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide

2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide (PubChem CID 65251976) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
PubChem CID65251976
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCSc1cnn(C)c1
InChIInChI=1S/C10H18N4S/c1-10(2,9(11)12)4-5-15-8-6-13-14(3)7-8/h6-7H,4-5H2,1-3H3,(H3,11,12)
InChIKeyXBHGIRPGHBLIIX-UHFFFAOYSA-N
XLogP1.86
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.86
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 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
The IUPAC name of 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide (CID 65251976) is 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide is [H]/N=C(\N)C(C)(C)CCSc1cnn(C)c1.
What is the InChIKey of 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
The InChIKey is XBHGIRPGHBLIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-10(2,9(11)12)4-5-15-8-6-13-14(3)7-8/h6-7H,4-5H2,1-3H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide?
2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide has a molecular weight of 226.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide is sourced from PubChem (CID 65251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).