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

C8H17NS2 — CID 103073535

IUPAC2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CCSC
InChIInChI=1S/C8H17NS2/c1-8(7-10)6-9(2)4-5-11-3/h10H,1,4-7H2,2-3H3
InChIKeyYLEPMPPCZQZNAC-UHFFFAOYSA-N
MW191.36 g/mol
LogP1.77
Rot. Bonds6

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

2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073535) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073535
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CCSC
InChIInChI=1S/C8H17NS2/c1-8(7-10)6-9(2)4-5-11-3/h10H,1,4-7H2,2-3H3
InChIKeyYLEPMPPCZQZNAC-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl(3-methylbut-3-en-1-yl)[2-(methylsulfanyl)ethyl]amine
CID 145867182
(2z)-2,3-bis(t-butyl-sulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 129749747
propyl N,N-bis(2-methylprop-2-enyl)carbamodithioate
CID 21430052
ethyl N-(2-methylprop-2-enyl)-N-(2-methylpropyl)carbamodithioate
CID 21430056
propyl N-(2-methylprop-2-enyl)-N-(2-methylpropyl)carbamodithioate
CID 21430058
(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol
CID 89224851
1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
CID 10824289
2-[[2-(Dimethylamino)ethyl-methylamino]methyl]prop-2-ene-1-thiol
CID 103073185
2-[[3-(Dimethylamino)propyl-methylamino]methyl]prop-2-ene-1-thiol
CID 103073187
2-[[Methyl(2-methylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073189
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073191
2-(Diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol (CID 103073535) is 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)CCSC.
What is the InChIKey of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is YLEPMPPCZQZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-8(7-10)6-9(2)4-5-11-3/h10H,1,4-7H2,2-3H3.
What are the key properties of 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol?
2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 191.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).