[3-(methylamino)propylamino]methanethiol

C5H14N2S — CID 142025847

IUPAC[3-(methylamino)propylamino]methanethiol
SMILESCNCCCNCS
InChIInChI=1S/C5H14N2S/c1-6-3-2-4-7-5-8/h6-8H,2-5H2,1H3
InChIKeyUKVKVZLQLZXVFX-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.07
Rot. Bonds5

About [3-(methylamino)propylamino]methanethiol

[3-(methylamino)propylamino]methanethiol (PubChem CID 142025847) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is [3-(methylamino)propylamino]methanethiol.

Molecular Properties

Compound Name[3-(methylamino)propylamino]methanethiol
PubChem CID142025847
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name[3-(methylamino)propylamino]methanethiol
SMILESCNCCCNCS
InChIInChI=1S/C5H14N2S/c1-6-3-2-4-7-5-8/h6-8H,2-5H2,1H3
InChIKeyUKVKVZLQLZXVFX-UHFFFAOYSA-N
XLogP0.07
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-((3-Aminopropyl)amino)ethanethiol
CID 104807
N-Methyl-1,3-propanediamine
CID 80511
N,N'-Dimethyl-1,3-propanediamine
CID 66978
2-Propanethiol, 1-((3-aminopropyl)amino)-
CID 3078317
S-2-(3-methylaminopropylamino)ethanethiol
CID 146673
1-Methylamino-3-propanethiol
CID 12634510
Aminopropylaminoethanethiol
CID 17835450
3-[3-(Methylamino)propylamino]propane-1-thiol
CID 129037
1-(Methylamino)propane-2-thiol
CID 13460853
1-(Methylamino)propane-1-thiol
CID 19707571
1-Amino-3-(methylamino)propane-2-thiol
CID 21030681
2-[3-(Ethylamino)propylamino]ethanethiol
CID 21116588

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)propylamino]methanethiol?
The IUPAC name of [3-(methylamino)propylamino]methanethiol (CID 142025847) is [3-(methylamino)propylamino]methanethiol.
What is the SMILES notation for [3-(methylamino)propylamino]methanethiol?
The canonical SMILES for [3-(methylamino)propylamino]methanethiol is CNCCCNCS.
What is the InChIKey of [3-(methylamino)propylamino]methanethiol?
The InChIKey is UKVKVZLQLZXVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-6-3-2-4-7-5-8/h6-8H,2-5H2,1H3.
What are the key properties of [3-(methylamino)propylamino]methanethiol?
[3-(methylamino)propylamino]methanethiol has a molecular weight of 134.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)propylamino]methanethiol is sourced from PubChem (CID 142025847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).