N'-(methylsulfanylmethyl)propane-1,3-diamine

C5H14N2S — CID 123451473

IUPACN'-(methylsulfanylmethyl)propane-1,3-diamine
SMILESCSCNCCCN
InChIInChI=1S/C5H14N2S/c1-8-5-7-4-2-3-6/h7H,2-6H2,1H3
InChIKeyYWMUNWPLILCLNU-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.25
Rot. Bonds5

About N'-(methylsulfanylmethyl)propane-1,3-diamine

N'-(methylsulfanylmethyl)propane-1,3-diamine (PubChem CID 123451473) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is N'-(methylsulfanylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(methylsulfanylmethyl)propane-1,3-diamine
PubChem CID123451473
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC NameN'-(methylsulfanylmethyl)propane-1,3-diamine
SMILESCSCNCCCN
InChIInChI=1S/C5H14N2S/c1-8-5-7-4-2-3-6/h7H,2-6H2,1H3
InChIKeyYWMUNWPLILCLNU-UHFFFAOYSA-N
XLogP0.25
TPSA38.05 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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methylsulfanylmethyl)propan-1-amine
CID 21822566
N-(methylsulfanylmethyl)butan-1-amine
CID 21822579
N-(methylsulfanylmethyl)ethanamine
CID 59124426
N-(3-aminopropyl)-N'-(methylsulfanylmethyl)butane-1,4-diamine
CID 59934663
N'-(1-methylsulfanylethyl)propane-1,3-diamine
CID 88531079
N-methyl-N'-methylsulfanylpropane-1,3-diamine
CID 88930477
S-(propylaminomethyl)thiohydroxylamine
CID 117855103
N',N'-dimethyl-N-(methylsulfanylmethyl)propane-1,3-diamine
CID 123779361
[3-(Methylamino)propylamino]methanethiol
CID 142025847
N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine
CID 142025853
2-methyl-N-(methylsulfanylmethyl)propan-1-amine
CID 148485473
3-(Methylaminomethyl)thiiran-2-amine
CID 155174809

Frequently Asked Questions

What is the IUPAC name of N'-(methylsulfanylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(methylsulfanylmethyl)propane-1,3-diamine (CID 123451473) is N'-(methylsulfanylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(methylsulfanylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(methylsulfanylmethyl)propane-1,3-diamine is CSCNCCCN.
What is the InChIKey of N'-(methylsulfanylmethyl)propane-1,3-diamine?
The InChIKey is YWMUNWPLILCLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-8-5-7-4-2-3-6/h7H,2-6H2,1H3.
What are the key properties of N'-(methylsulfanylmethyl)propane-1,3-diamine?
N'-(methylsulfanylmethyl)propane-1,3-diamine has a molecular weight of 134.25 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylsulfanylmethyl)propane-1,3-diamine is sourced from PubChem (CID 123451473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).