(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol

C7H15NS — CID 89224851

IUPAC(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol
SMILESCCN(C)C/C(C)=C/S
InChIInChI=1S/C7H15NS/c1-4-8(3)5-7(2)6-9/h6,9H,4-5H2,1-3H3/b7-6+
InChIKeyYXJLIPXUFOGDLP-VOTSOKGWSA-N
MW145.27 g/mol
LogP1.77
Rot. Bonds3

About (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol

(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol (PubChem CID 89224851) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol
PubChem CID89224851
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol
SMILESCCN(C)C/C(C)=C/S
InChIInChI=1S/C7H15NS/c1-4-8(3)5-7(2)6-9/h6,9H,4-5H2,1-3H3/b7-6+
InChIKeyYXJLIPXUFOGDLP-VOTSOKGWSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073309
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073353
2-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073482
2-[[2,2-Difluoroethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073550
2-(Methyl-2-propen-1-ylamino)ethanethiol
CID 22567655
1-Propanethiol, 3-(methyl-2-propenylamino)-
CID 22567713
2,4-dimethyl-3H-1,2-thiazole
CID 89118035
2,3,5-Trimethyl-2,4-dihydro-1,3-thiazine
CID 89217846
S-[(E)-3-[ethyl(methyl)amino]-2-methylprop-1-enyl]thiohydroxylamine
CID 89243544
(1-Butylazetidin-3-ylidene)methanethiol
CID 139336469
1-[Ethyl(prop-2-enyl)amino]ethanethiol
CID 142101527
[Ethyl(2-methylprop-2-enyl)amino]methanethiol
CID 142982158

Frequently Asked Questions

What is the IUPAC name of (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol?
The IUPAC name of (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol (CID 89224851) is (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol.
What is the SMILES notation for (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol?
The canonical SMILES for (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol is CCN(C)C/C(C)=C/S.
What is the InChIKey of (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol?
The InChIKey is YXJLIPXUFOGDLP-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8(3)5-7(2)6-9/h6,9H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol?
(E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[ethyl(methyl)amino]-2-methylprop-1-ene-1-thiol is sourced from PubChem (CID 89224851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).