N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide

C7H16N2S — CID 76624379

IUPACN,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide
SMILESCSC(C)N=C(C)N(C)C
InChIInChI=1S/C7H16N2S/c1-6(9(3)4)8-7(2)10-5/h7H,1-5H3
InChIKeyTUNSHNULDUGXGP-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.68
Rot. Bonds2

About N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide

N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide (PubChem CID 76624379) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide
PubChem CID76624379
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide
SMILESCSC(C)N=C(C)N(C)C
InChIInChI=1S/C7H16N2S/c1-6(9(3)4)8-7(2)10-5/h7H,1-5H3
InChIKeyTUNSHNULDUGXGP-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
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-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide (CID 76624379) is N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide is CSC(C)N=C(C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide?
The InChIKey is TUNSHNULDUGXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6(9(3)4)8-7(2)10-5/h7H,1-5H3.
What are the key properties of N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide?
N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide has a molecular weight of 160.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide is sourced from PubChem (CID 76624379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).