2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide

C9H14N2OS2 — CID 84749719

IUPAC2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide
SMILESCN(CCO)C(C(N)=S)c1ccsc1
InChIInChI=1S/C9H14N2OS2/c1-11(3-4-12)8(9(10)13)7-2-5-14-6-7/h2,5-6,8,12H,3-4H2,1H3,(H2,10,13)
InChIKeyIWMLYQGFQWBDGP-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.00
Rot. Bonds5

About 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide

2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide (PubChem CID 84749719) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide
PubChem CID84749719
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide
SMILESCN(CCO)C(C(N)=S)c1ccsc1
InChIInChI=1S/C9H14N2OS2/c1-11(3-4-12)8(9(10)13)7-2-5-14-6-7/h2,5-6,8,12H,3-4H2,1H3,(H2,10,13)
InChIKeyIWMLYQGFQWBDGP-UHFFFAOYSA-N
XLogP1.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749380
2-(diethylamino)-2-thiophen-3-ylethanethioamide
CID 84758197
2-[butyl(ethyl)amino]-2-thiophen-3-ylethanethioamide
CID 84758118
2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749285
2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749678
1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
CID 62335508
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
CID 115716392
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
1-(dimethylamino)-3-methyl-1-thiophen-3-ylbut-3-en-2-one
CID 91286857
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide (CID 84749719) is 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide is CN(CCO)C(C(N)=S)c1ccsc1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
The InChIKey is IWMLYQGFQWBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-11(3-4-12)8(9(10)13)7-2-5-14-6-7/h2,5-6,8,12H,3-4H2,1H3,(H2,10,13).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide?
2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide has a molecular weight of 230.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide is sourced from PubChem (CID 84749719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).