[ethyl(2-methylprop-2-enyl)amino]methanethiol

C7H15NS — CID 142982158

IUPAC[ethyl(2-methylprop-2-enyl)amino]methanethiol
SMILESC=C(C)CN(CC)CS
InChIInChI=1S/C7H15NS/c1-4-8(6-9)5-7(2)3/h9H,2,4-6H2,1,3H3
InChIKeyJCQREYVZILEZQC-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.77
Rot. Bonds4

About [ethyl(2-methylprop-2-enyl)amino]methanethiol

[ethyl(2-methylprop-2-enyl)amino]methanethiol (PubChem CID 142982158) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is [ethyl(2-methylprop-2-enyl)amino]methanethiol.

Molecular Properties

Compound Name[ethyl(2-methylprop-2-enyl)amino]methanethiol
PubChem CID142982158
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name[ethyl(2-methylprop-2-enyl)amino]methanethiol
SMILESC=C(C)CN(CC)CS
InChIInChI=1S/C7H15NS/c1-4-8(6-9)5-7(2)3/h9H,2,4-6H2,1,3H3
InChIKeyJCQREYVZILEZQC-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-N,2-dimethylprop-2-en-1-amine
CID 22244914
(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol
CID 89224851
Bis(2-methylprop-2-enyl)carbamodithioic acid
CID 412853
Ethyl(2-methylprop-2-enyl)carbamodithioic acid
CID 88687504
2-(Diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
2-[(Dipropylamino)methyl]prop-2-ene-1-thiol
CID 103073217
2-[(Dimethylamino)methyl]prop-2-ene-1-thiol
CID 103073233
2-[[Butyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073241
2-[[Butyl(ethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073249
2-[(Dibutylamino)methyl]prop-2-ene-1-thiol
CID 103073262
2-[[Ethyl(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073266
2-[[Ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073267

Frequently Asked Questions

What is the IUPAC name of [ethyl(2-methylprop-2-enyl)amino]methanethiol?
The IUPAC name of [ethyl(2-methylprop-2-enyl)amino]methanethiol (CID 142982158) is [ethyl(2-methylprop-2-enyl)amino]methanethiol.
What is the SMILES notation for [ethyl(2-methylprop-2-enyl)amino]methanethiol?
The canonical SMILES for [ethyl(2-methylprop-2-enyl)amino]methanethiol is C=C(C)CN(CC)CS.
What is the InChIKey of [ethyl(2-methylprop-2-enyl)amino]methanethiol?
The InChIKey is JCQREYVZILEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8(6-9)5-7(2)3/h9H,2,4-6H2,1,3H3.
What are the key properties of [ethyl(2-methylprop-2-enyl)amino]methanethiol?
[ethyl(2-methylprop-2-enyl)amino]methanethiol 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 [ethyl(2-methylprop-2-enyl)amino]methanethiol is sourced from PubChem (CID 142982158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).