N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine

C5H15N3OS — CID 134297674

IUPACN-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine
SMILES[H]N=S(C)(=O)NCCCNC
InChIInChI=1S/C5H15N3OS/c1-7-4-3-5-8-10(2,6)9/h7H,3-5H2,1-2H3,(H2,6,8,9)
InChIKeyHYXCQRVKUPUEGO-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.22
Rot. Bonds5

About N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine

N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine (PubChem CID 134297674) has the molecular formula C5H15N3OS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine
PubChem CID134297674
Molecular FormulaC5H15N3OS
Molecular Weight165.26 g/mol
Exact Mass165.09
IUPAC NameN-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine
SMILES[H]N=S(C)(=O)NCCCNC
InChIInChI=1S/C5H15N3OS/c1-7-4-3-5-8-10(2,6)9/h7H,3-5H2,1-2H3,(H2,6,8,9)
InChIKeyHYXCQRVKUPUEGO-UHFFFAOYSA-N
XLogP-0.22
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine (CID 134297674) is N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine is [H]N=S(C)(=O)NCCCNC.
What is the InChIKey of N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine?
The InChIKey is HYXCQRVKUPUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3OS/c1-7-4-3-5-8-10(2,6)9/h7H,3-5H2,1-2H3,(H2,6,8,9).
What are the key properties of N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine?
N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine has a molecular weight of 165.26 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(methylsulfonimidoyl)propane-1,3-diamine is sourced from PubChem (CID 134297674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).