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

C10H21NS2 — CID 103073536

IUPAC2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)C(CC)CSC
InChIInChI=1S/C10H21NS2/c1-5-10(8-13-4)11(3)6-9(2)7-12/h10,12H,2,5-8H2,1,3-4H3
InChIKeyMAFJXYUIMAJYGU-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.55
Rot. Bonds7

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

2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073536) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073536
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)C(CC)CSC
InChIInChI=1S/C10H21NS2/c1-5-10(8-13-4)11(3)6-9(2)7-12/h10,12H,2,5-8H2,1,3-4H3
InChIKeyMAFJXYUIMAJYGU-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.55
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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Launch Full Analysis

Related Compounds

N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
2-[pentan-3-yl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073427
2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073267
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
2-(diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol (CID 103073536) is 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)C(CC)CSC.
What is the InChIKey of 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is MAFJXYUIMAJYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-5-10(8-13-4)11(3)6-9(2)7-12/h10,12H,2,5-8H2,1,3-4H3.
What are the key properties of 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol?
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 219.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).