N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide

C8H18N2O2S — CID 166565570

IUPACN'-(4-methylpentyl)-N-methylsulfonylmethanimidamide
SMILESCC(C)CCC/N=C/NS(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-8(2)5-4-6-9-7-10-13(3,11)12/h7-8H,4-6H2,1-3H3,(H,9,10)
InChIKeyMVTAZJWDBFFBLU-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.00
Rot. Bonds6

About N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide

N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide (PubChem CID 166565570) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide.

Molecular Properties

Compound NameN'-(4-methylpentyl)-N-methylsulfonylmethanimidamide
PubChem CID166565570
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN'-(4-methylpentyl)-N-methylsulfonylmethanimidamide
SMILESCC(C)CCC/N=C/NS(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-8(2)5-4-6-9-7-10-13(3,11)12/h7-8H,4-6H2,1-3H3,(H,9,10)
InChIKeyMVTAZJWDBFFBLU-UHFFFAOYSA-N
XLogP1.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.00
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide?
The IUPAC name of N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide (CID 166565570) is N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide.
What is the SMILES notation for N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide?
The canonical SMILES for N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide is CC(C)CCC/N=C/NS(C)(=O)=O.
What is the InChIKey of N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide?
The InChIKey is MVTAZJWDBFFBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2)5-4-6-9-7-10-13(3,11)12/h7-8H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide?
N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide has a molecular weight of 206.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpentyl)-N-methylsulfonylmethanimidamide is sourced from PubChem (CID 166565570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).