N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide

C10H23N3S — CID 139506656

IUPACN-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide
SMILESCCCCSN(C)CCN/C(C)=N/C
InChIInChI=1S/C10H23N3S/c1-5-6-9-14-13(4)8-7-12-10(2)11-3/h5-9H2,1-4H3,(H,11,12)
InChIKeyVAMWVEKSQLMVAB-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.00
Rot. Bonds7

About N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide

N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide (PubChem CID 139506656) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide
PubChem CID139506656
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC NameN-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide
SMILESCCCCSN(C)CCN/C(C)=N/C
InChIInChI=1S/C10H23N3S/c1-5-6-9-14-13(4)8-7-12-10(2)11-3/h5-9H2,1-4H3,(H,11,12)
InChIKeyVAMWVEKSQLMVAB-UHFFFAOYSA-N
XLogP2.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide?
The IUPAC name of N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide (CID 139506656) is N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide?
The canonical SMILES for N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide is CCCCSN(C)CCN/C(C)=N/C.
What is the InChIKey of N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide?
The InChIKey is VAMWVEKSQLMVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-5-6-9-14-13(4)8-7-12-10(2)11-3/h5-9H2,1-4H3,(H,11,12).
What are the key properties of N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide?
N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide has a molecular weight of 217.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butylsulfanyl(methyl)amino]ethyl]-N'-methylethanimidamide is sourced from PubChem (CID 139506656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).