N-(methylsulfanylmethyl)propan-1-amine;hydrochloride

C5H14ClNS — CID 71359883

IUPACN-(methylsulfanylmethyl)propan-1-amine;hydrochloride
SMILESCCCNCSC.Cl
InChIInChI=1S/C5H13NS.ClH/c1-3-4-6-5-7-2;/h6H,3-5H2,1-2H3;1H
InChIKeyQKJFRJGWPDERFW-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.73
Rot. Bonds4

About N-(methylsulfanylmethyl)propan-1-amine;hydrochloride

N-(methylsulfanylmethyl)propan-1-amine;hydrochloride (PubChem CID 71359883) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is N-(methylsulfanylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(methylsulfanylmethyl)propan-1-amine;hydrochloride
PubChem CID71359883
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC NameN-(methylsulfanylmethyl)propan-1-amine;hydrochloride
SMILESCCCNCSC.Cl
InChIInChI=1S/C5H13NS.ClH/c1-3-4-6-5-7-2;/h6H,3-5H2,1-2H3;1H
InChIKeyQKJFRJGWPDERFW-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(methylsulfanylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of N-(methylsulfanylmethyl)propan-1-amine;hydrochloride (CID 71359883) is N-(methylsulfanylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-(methylsulfanylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for N-(methylsulfanylmethyl)propan-1-amine;hydrochloride is CCCNCSC.Cl.
What is the InChIKey of N-(methylsulfanylmethyl)propan-1-amine;hydrochloride?
The InChIKey is QKJFRJGWPDERFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-3-4-6-5-7-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of N-(methylsulfanylmethyl)propan-1-amine;hydrochloride?
N-(methylsulfanylmethyl)propan-1-amine;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfanylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 71359883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).