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

C7H15NS — CID 103073267

IUPAC2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CC
InChIInChI=1S/C7H15NS/c1-4-8(3)5-7(2)6-9/h9H,2,4-6H2,1,3H3
InChIKeyIHHCXKUBAWZIPO-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.42
Rot. Bonds4

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

2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073267) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073267
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CC
InChIInChI=1S/C7H15NS/c1-4-8(3)5-7(2)6-9/h9H,2,4-6H2,1,3H3
InChIKeyIHHCXKUBAWZIPO-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[[butyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073241
2-(diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073312
2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073172
3-[ethyl-[2-(sulfanylmethyl)prop-2-enyl]amino]propanenitrile
CID 103073412
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073536
2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073397
N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192
2-[(N-ethyl-4-fluoroanilino)methyl]prop-2-ene-1-thiol
CID 103073391
2-[pentan-3-yl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073427
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073354
2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
CID 103073276

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol (CID 103073267) is 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)CC.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is IHHCXKUBAWZIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8(3)5-7(2)6-9/h9H,2,4-6H2,1,3H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).