2-tert-butylsulfanyl-N,N-dimethylethanimidamide

C8H18N2S — CID 65137830

IUPAC2-tert-butylsulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSC(C)(C)C)N(C)C
InChIInChI=1S/C8H18N2S/c1-8(2,3)11-6-7(9)10(4)5/h9H,6H2,1-5H3/b9-7-
InChIKeyQONKFZPMCYYSBG-CLFYSBASSA-N
MW174.31 g/mol
LogP2.06
Rot. Bonds2

About 2-tert-butylsulfanyl-N,N-dimethylethanimidamide

2-tert-butylsulfanyl-N,N-dimethylethanimidamide (PubChem CID 65137830) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N,N-dimethylethanimidamide
PubChem CID65137830
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-tert-butylsulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSC(C)(C)C)N(C)C
InChIInChI=1S/C8H18N2S/c1-8(2,3)11-6-7(9)10(4)5/h9H,6H2,1-5H3/b9-7-
InChIKeyQONKFZPMCYYSBG-CLFYSBASSA-N
XLogP2.06
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 2-tert-butylsulfanyl-N,N-dimethylethanimidamide?
The IUPAC name of 2-tert-butylsulfanyl-N,N-dimethylethanimidamide (CID 65137830) is 2-tert-butylsulfanyl-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N,N-dimethylethanimidamide?
The canonical SMILES for 2-tert-butylsulfanyl-N,N-dimethylethanimidamide is [H]/N=C(/CSC(C)(C)C)N(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N,N-dimethylethanimidamide?
The InChIKey is QONKFZPMCYYSBG-CLFYSBASSA-N. The full InChI is InChI=1S/C8H18N2S/c1-8(2,3)11-6-7(9)10(4)5/h9H,6H2,1-5H3/b9-7-.
What are the key properties of 2-tert-butylsulfanyl-N,N-dimethylethanimidamide?
2-tert-butylsulfanyl-N,N-dimethylethanimidamide has a molecular weight of 174.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N,N-dimethylethanimidamide is sourced from PubChem (CID 65137830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).