N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide

C7H17N3S — CID 174263168

IUPACN'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide
SMILES[H]/N=S(CCC(C)C)/C(N)=N/C
InChIInChI=1S/C7H17N3S/c1-6(2)4-5-11(9)7(8)10-3/h6,9H,4-5H2,1-3H3,(H2,8,10)
InChIKeyIILVZIXMLGEAFD-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.36
Rot. Bonds3

About N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide

N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide (PubChem CID 174263168) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide
PubChem CID174263168
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC NameN'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide
SMILES[H]/N=S(CCC(C)C)/C(N)=N/C
InChIInChI=1S/C7H17N3S/c1-6(2)4-5-11(9)7(8)10-3/h6,9H,4-5H2,1-3H3,(H2,8,10)
InChIKeyIILVZIXMLGEAFD-UHFFFAOYSA-N
XLogP1.36
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
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'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide?
The IUPAC name of N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide (CID 174263168) is N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide.
What is the SMILES notation for N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide?
The canonical SMILES for N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide is [H]/N=S(CCC(C)C)/C(N)=N/C.
What is the InChIKey of N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide?
The InChIKey is IILVZIXMLGEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-6(2)4-5-11(9)7(8)10-3/h6,9H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide?
N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide has a molecular weight of 175.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(3-methylbutylsulfinimidoyl)methanimidamide is sourced from PubChem (CID 174263168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).