2-[methyl(propyl)amino]prop-2-ene-1-thiol

C7H15NS — CID 123486416

IUPAC2-[methyl(propyl)amino]prop-2-ene-1-thiol
SMILESC=C(CS)N(C)CCC
InChIInChI=1S/C7H15NS/c1-4-5-8(3)7(2)6-9/h9H,2,4-6H2,1,3H3
InChIKeyYAPUVRUZIFLANC-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.77
Rot. Bonds4

About 2-[methyl(propyl)amino]prop-2-ene-1-thiol

2-[methyl(propyl)amino]prop-2-ene-1-thiol (PubChem CID 123486416) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[methyl(propyl)amino]prop-2-ene-1-thiol
PubChem CID123486416
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-[methyl(propyl)amino]prop-2-ene-1-thiol
SMILESC=C(CS)N(C)CCC
InChIInChI=1S/C7H15NS/c1-4-5-8(3)7(2)6-9/h9H,2,4-6H2,1,3H3
InChIKeyYAPUVRUZIFLANC-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]prop-2-ene-1-thiol?
The IUPAC name of 2-[methyl(propyl)amino]prop-2-ene-1-thiol (CID 123486416) is 2-[methyl(propyl)amino]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[methyl(propyl)amino]prop-2-ene-1-thiol?
The canonical SMILES for 2-[methyl(propyl)amino]prop-2-ene-1-thiol is C=C(CS)N(C)CCC.
What is the InChIKey of 2-[methyl(propyl)amino]prop-2-ene-1-thiol?
The InChIKey is YAPUVRUZIFLANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-5-8(3)7(2)6-9/h9H,2,4-6H2,1,3H3.
What are the key properties of 2-[methyl(propyl)amino]prop-2-ene-1-thiol?
2-[methyl(propyl)amino]prop-2-ene-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]prop-2-ene-1-thiol is sourced from PubChem (CID 123486416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).