N,N-diethyl-2-methylsulfanylethanimidamide

C7H16N2S — CID 63179796

IUPACN,N-diethyl-2-methylsulfanylethanimidamide
SMILES[H]/N=C(\CSC)N(CC)CC
InChIInChI=1S/C7H16N2S/c1-4-9(5-2)7(8)6-10-3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyBFOBKCQDMAUYOB-BQYQJAHWSA-N
MW160.29 g/mol
LogP1.67
Rot. Bonds4

About N,N-diethyl-2-methylsulfanylethanimidamide

N,N-diethyl-2-methylsulfanylethanimidamide (PubChem CID 63179796) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N,N-diethyl-2-methylsulfanylethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-2-methylsulfanylethanimidamide
PubChem CID63179796
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN,N-diethyl-2-methylsulfanylethanimidamide
SMILES[H]/N=C(\CSC)N(CC)CC
InChIInChI=1S/C7H16N2S/c1-4-9(5-2)7(8)6-10-3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyBFOBKCQDMAUYOB-BQYQJAHWSA-N
XLogP1.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.67
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 N,N-diethyl-2-methylsulfanylethanimidamide?
The IUPAC name of N,N-diethyl-2-methylsulfanylethanimidamide (CID 63179796) is N,N-diethyl-2-methylsulfanylethanimidamide.
What is the SMILES notation for N,N-diethyl-2-methylsulfanylethanimidamide?
The canonical SMILES for N,N-diethyl-2-methylsulfanylethanimidamide is [H]/N=C(\CSC)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylsulfanylethanimidamide?
The InChIKey is BFOBKCQDMAUYOB-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2S/c1-4-9(5-2)7(8)6-10-3/h8H,4-6H2,1-3H3/b8-7+.
What are the key properties of N,N-diethyl-2-methylsulfanylethanimidamide?
N,N-diethyl-2-methylsulfanylethanimidamide has a molecular weight of 160.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylsulfanylethanimidamide is sourced from PubChem (CID 63179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).