3-(3-methylbutan-2-ylsulfanyl)propanimidamide

C8H18N2S — CID 107750260

IUPAC3-(3-methylbutan-2-ylsulfanyl)propanimidamide
SMILES[H]/N=C(\N)CCSC(C)C(C)C
InChIInChI=1S/C8H18N2S/c1-6(2)7(3)11-5-4-8(9)10/h6-7H,4-5H2,1-3H3,(H3,9,10)
InChIKeyANIGKLUODYJHPM-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.09
Rot. Bonds5

About 3-(3-methylbutan-2-ylsulfanyl)propanimidamide

3-(3-methylbutan-2-ylsulfanyl)propanimidamide (PubChem CID 107750260) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylsulfanyl)propanimidamide.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylsulfanyl)propanimidamide
PubChem CID107750260
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name3-(3-methylbutan-2-ylsulfanyl)propanimidamide
SMILES[H]/N=C(\N)CCSC(C)C(C)C
InChIInChI=1S/C8H18N2S/c1-6(2)7(3)11-5-4-8(9)10/h6-7H,4-5H2,1-3H3,(H3,9,10)
InChIKeyANIGKLUODYJHPM-UHFFFAOYSA-N
XLogP2.09
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.09
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 3-(3-methylbutan-2-ylsulfanyl)propanimidamide?
The IUPAC name of 3-(3-methylbutan-2-ylsulfanyl)propanimidamide (CID 107750260) is 3-(3-methylbutan-2-ylsulfanyl)propanimidamide.
What is the SMILES notation for 3-(3-methylbutan-2-ylsulfanyl)propanimidamide?
The canonical SMILES for 3-(3-methylbutan-2-ylsulfanyl)propanimidamide is [H]/N=C(\N)CCSC(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-ylsulfanyl)propanimidamide?
The InChIKey is ANIGKLUODYJHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-6(2)7(3)11-5-4-8(9)10/h6-7H,4-5H2,1-3H3,(H3,9,10).
What are the key properties of 3-(3-methylbutan-2-ylsulfanyl)propanimidamide?
3-(3-methylbutan-2-ylsulfanyl)propanimidamide has a molecular weight of 174.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylsulfanyl)propanimidamide is sourced from PubChem (CID 107750260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).