N,N-diethyl-2-propylsulfanylethanimidamide

C9H20N2S — CID 65134528

IUPACN,N-diethyl-2-propylsulfanylethanimidamide
SMILES[H]/N=C(\CSCCC)N(CC)CC
InChIInChI=1S/C9H20N2S/c1-4-7-12-8-9(10)11(5-2)6-3/h10H,4-8H2,1-3H3/b10-9+
InChIKeyUKYBPHYBAYPDNT-MDZDMXLPSA-N
MW188.34 g/mol
LogP2.45
Rot. Bonds6

About N,N-diethyl-2-propylsulfanylethanimidamide

N,N-diethyl-2-propylsulfanylethanimidamide (PubChem CID 65134528) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N,N-diethyl-2-propylsulfanylethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-2-propylsulfanylethanimidamide
PubChem CID65134528
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN,N-diethyl-2-propylsulfanylethanimidamide
SMILES[H]/N=C(\CSCCC)N(CC)CC
InChIInChI=1S/C9H20N2S/c1-4-7-12-8-9(10)11(5-2)6-3/h10H,4-8H2,1-3H3/b10-9+
InChIKeyUKYBPHYBAYPDNT-MDZDMXLPSA-N
XLogP2.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
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 N,N-diethyl-2-propylsulfanylethanimidamide?
The IUPAC name of N,N-diethyl-2-propylsulfanylethanimidamide (CID 65134528) is N,N-diethyl-2-propylsulfanylethanimidamide.
What is the SMILES notation for N,N-diethyl-2-propylsulfanylethanimidamide?
The canonical SMILES for N,N-diethyl-2-propylsulfanylethanimidamide is [H]/N=C(\CSCCC)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-propylsulfanylethanimidamide?
The InChIKey is UKYBPHYBAYPDNT-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2S/c1-4-7-12-8-9(10)11(5-2)6-3/h10H,4-8H2,1-3H3/b10-9+.
What are the key properties of N,N-diethyl-2-propylsulfanylethanimidamide?
N,N-diethyl-2-propylsulfanylethanimidamide has a molecular weight of 188.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-propylsulfanylethanimidamide is sourced from PubChem (CID 65134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).