4-propan-2-ylsulfanylbutanimidamide

C7H16N2S — CID 60885150

IUPAC4-propan-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSC(C)C
InChIInChI=1S/C7H16N2S/c1-6(2)10-5-3-4-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9)
InChIKeyKXEMZBSIINRYMB-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.84
Rot. Bonds5

About 4-propan-2-ylsulfanylbutanimidamide

4-propan-2-ylsulfanylbutanimidamide (PubChem CID 60885150) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 4-propan-2-ylsulfanylbutanimidamide.

Molecular Properties

Compound Name4-propan-2-ylsulfanylbutanimidamide
PubChem CID60885150
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name4-propan-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSC(C)C
InChIInChI=1S/C7H16N2S/c1-6(2)10-5-3-4-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9)
InChIKeyKXEMZBSIINRYMB-UHFFFAOYSA-N
XLogP1.84
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-propan-2-ylsulfanylbutanimidamide?
The IUPAC name of 4-propan-2-ylsulfanylbutanimidamide (CID 60885150) is 4-propan-2-ylsulfanylbutanimidamide.
What is the SMILES notation for 4-propan-2-ylsulfanylbutanimidamide?
The canonical SMILES for 4-propan-2-ylsulfanylbutanimidamide is [H]/N=C(\N)CCCSC(C)C.
What is the InChIKey of 4-propan-2-ylsulfanylbutanimidamide?
The InChIKey is KXEMZBSIINRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6(2)10-5-3-4-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 4-propan-2-ylsulfanylbutanimidamide?
4-propan-2-ylsulfanylbutanimidamide has a molecular weight of 160.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanylbutanimidamide is sourced from PubChem (CID 60885150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).