2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine

C8H15NOS2 — CID 145286023

IUPAC2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine
SMILESC#CCOCSSC(C)(C)CN
InChIInChI=1S/C8H15NOS2/c1-4-5-10-7-11-12-8(2,3)6-9/h1H,5-7,9H2,2-3H3
InChIKeyWGGVGTTXAVGTMI-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.71
Rot. Bonds6

About 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine

2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine (PubChem CID 145286023) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine
PubChem CID145286023
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine
SMILESC#CCOCSSC(C)(C)CN
InChIInChI=1S/C8H15NOS2/c1-4-5-10-7-11-12-8(2,3)6-9/h1H,5-7,9H2,2-3H3
InChIKeyWGGVGTTXAVGTMI-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(but-2-ynoxymethyldisulfanyl)-2-methylpropan-1-amine
CID 146433508
2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine
CID 121369625
2-methyl-2-(prop-2-ynoxymethoxy)propane
CID 154594071
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
1,3-bis(prop-2-ynoxy)propan-2-amine
CID 166692396
CID 172894425
CID 172894425
2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
CID 71370387
2-methyl-1-prop-2-ynoxyhept-6-yn-2-amine
CID 139381822
4-prop-2-ynoxybutan-1-amine
CID 126972070
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine (CID 145286023) is 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine is C#CCOCSSC(C)(C)CN.
What is the InChIKey of 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine?
The InChIKey is WGGVGTTXAVGTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-4-5-10-7-11-12-8(2,3)6-9/h1H,5-7,9H2,2-3H3.
What are the key properties of 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine?
2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine is sourced from PubChem (CID 145286023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).