N-methyl-N'-methylsulfanylpropane-1,3-diamine

C5H14N2S — CID 88930477

IUPACN-methyl-N'-methylsulfanylpropane-1,3-diamine
SMILESCNCCCNSC
InChIInChI=1S/C5H14N2S/c1-6-4-3-5-7-8-2/h6-7H,3-5H2,1-2H3
InChIKeyKWKDLPJAYDBYJT-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.46
Rot. Bonds5

About N-methyl-N'-methylsulfanylpropane-1,3-diamine

N-methyl-N'-methylsulfanylpropane-1,3-diamine (PubChem CID 88930477) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is N-methyl-N'-methylsulfanylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-methylsulfanylpropane-1,3-diamine
PubChem CID88930477
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC NameN-methyl-N'-methylsulfanylpropane-1,3-diamine
SMILESCNCCCNSC
InChIInChI=1S/C5H14N2S/c1-6-4-3-5-7-8-2/h6-7H,3-5H2,1-2H3
InChIKeyKWKDLPJAYDBYJT-UHFFFAOYSA-N
XLogP0.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-methylsulfanylpropane-1,3-diamine?
The IUPAC name of N-methyl-N'-methylsulfanylpropane-1,3-diamine (CID 88930477) is N-methyl-N'-methylsulfanylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-methylsulfanylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N'-methylsulfanylpropane-1,3-diamine is CNCCCNSC.
What is the InChIKey of N-methyl-N'-methylsulfanylpropane-1,3-diamine?
The InChIKey is KWKDLPJAYDBYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-6-4-3-5-7-8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-N'-methylsulfanylpropane-1,3-diamine?
N-methyl-N'-methylsulfanylpropane-1,3-diamine has a molecular weight of 134.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-methylsulfanylpropane-1,3-diamine is sourced from PubChem (CID 88930477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).