N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide

C9H21N3S — CID 139506194

IUPACN'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide
SMILESCCCSN(C)CCN/C(C)=N/C
InChIInChI=1S/C9H21N3S/c1-5-8-13-12(4)7-6-11-9(2)10-3/h5-8H2,1-4H3,(H,10,11)
InChIKeyMMTYPXQWEJOFNZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.61
Rot. Bonds6

About N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide

N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide (PubChem CID 139506194) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide
PubChem CID139506194
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC NameN'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide
SMILESCCCSN(C)CCN/C(C)=N/C
InChIInChI=1S/C9H21N3S/c1-5-8-13-12(4)7-6-11-9(2)10-3/h5-8H2,1-4H3,(H,10,11)
InChIKeyMMTYPXQWEJOFNZ-UHFFFAOYSA-N
XLogP1.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide (CID 139506194) is N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide is CCCSN(C)CCN/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide?
The InChIKey is MMTYPXQWEJOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-5-8-13-12(4)7-6-11-9(2)10-3/h5-8H2,1-4H3,(H,10,11).
What are the key properties of N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide?
N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide has a molecular weight of 203.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-[methyl(propylsulfanyl)amino]ethyl]ethanimidamide is sourced from PubChem (CID 139506194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).