N,N-dimethyl-2-propylsulfanylethanimidamide

C7H16N2S — CID 65134527

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

About N,N-dimethyl-2-propylsulfanylethanimidamide

N,N-dimethyl-2-propylsulfanylethanimidamide (PubChem CID 65134527) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N,N-dimethyl-2-propylsulfanylethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-2-propylsulfanylethanimidamide
PubChem CID65134527
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN,N-dimethyl-2-propylsulfanylethanimidamide
SMILES[H]/N=C(\CSCCC)N(C)C
InChIInChI=1S/C7H16N2S/c1-4-5-10-6-7(8)9(2)3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyCHNMTGITHDRWAA-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': '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-dimethyl-2-propylsulfanylethanimidamide?
The IUPAC name of N,N-dimethyl-2-propylsulfanylethanimidamide (CID 65134527) is N,N-dimethyl-2-propylsulfanylethanimidamide.
What is the SMILES notation for N,N-dimethyl-2-propylsulfanylethanimidamide?
The canonical SMILES for N,N-dimethyl-2-propylsulfanylethanimidamide is [H]/N=C(\CSCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-2-propylsulfanylethanimidamide?
The InChIKey is CHNMTGITHDRWAA-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2S/c1-4-5-10-6-7(8)9(2)3/h8H,4-6H2,1-3H3/b8-7+.
What are the key properties of N,N-dimethyl-2-propylsulfanylethanimidamide?
N,N-dimethyl-2-propylsulfanylethanimidamide 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-dimethyl-2-propylsulfanylethanimidamide is sourced from PubChem (CID 65134527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).