N,N'-bis(ethylsulfanylmethyl)butanimidamide

C10H22N2S2 — CID 173412336

IUPACN,N'-bis(ethylsulfanylmethyl)butanimidamide
SMILESCCCC(=NCSCC)NCSCC
InChIInChI=1S/C10H22N2S2/c1-4-7-10(11-8-13-5-2)12-9-14-6-3/h4-9H2,1-3H3,(H,11,12)
InChIKeyRWSOOKADDWBAIM-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.20
Rot. Bonds8

About N,N'-bis(ethylsulfanylmethyl)butanimidamide

N,N'-bis(ethylsulfanylmethyl)butanimidamide (PubChem CID 173412336) has the molecular formula C10H22N2S2 and a molecular weight of 234.43 g/mol. Its IUPAC name is N,N'-bis(ethylsulfanylmethyl)butanimidamide.

Molecular Properties

Compound NameN,N'-bis(ethylsulfanylmethyl)butanimidamide
PubChem CID173412336
Molecular FormulaC10H22N2S2
Molecular Weight234.43 g/mol
Exact Mass234.12
IUPAC NameN,N'-bis(ethylsulfanylmethyl)butanimidamide
SMILESCCCC(=NCSCC)NCSCC
InChIInChI=1S/C10H22N2S2/c1-4-7-10(11-8-13-5-2)12-9-14-6-3/h4-9H2,1-3H3,(H,11,12)
InChIKeyRWSOOKADDWBAIM-UHFFFAOYSA-N
XLogP3.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 N,N'-bis(ethylsulfanylmethyl)butanimidamide?
The IUPAC name of N,N'-bis(ethylsulfanylmethyl)butanimidamide (CID 173412336) is N,N'-bis(ethylsulfanylmethyl)butanimidamide.
What is the SMILES notation for N,N'-bis(ethylsulfanylmethyl)butanimidamide?
The canonical SMILES for N,N'-bis(ethylsulfanylmethyl)butanimidamide is CCCC(=NCSCC)NCSCC.
What is the InChIKey of N,N'-bis(ethylsulfanylmethyl)butanimidamide?
The InChIKey is RWSOOKADDWBAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S2/c1-4-7-10(11-8-13-5-2)12-9-14-6-3/h4-9H2,1-3H3,(H,11,12).
What are the key properties of N,N'-bis(ethylsulfanylmethyl)butanimidamide?
N,N'-bis(ethylsulfanylmethyl)butanimidamide has a molecular weight of 234.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(ethylsulfanylmethyl)butanimidamide is sourced from PubChem (CID 173412336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).