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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Related Compounds

4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 61385146
2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
CID 104603232
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenylpropanimidamide
CID 64535906
4-(1-methylpyrazol-4-yl)sulfanylbutanehydrazide
CID 63590297
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
CID 61385152
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 61384823
4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2,2-dimethylbutanimidamide
CID 65251417
3-(1-methylpyrazol-4-yl)sulfanyl-3-phenylpropanimidamide
CID 62780267
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289

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).