3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide

C12H26N2O2S — CID 103179736

IUPAC3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
SMILESCCN(CCOCCCOC)CC(C)C(N)=S
InChIInChI=1S/C12H26N2O2S/c1-4-14(10-11(2)12(13)17)6-9-16-8-5-7-15-3/h11H,4-10H2,1-3H3,(H2,13,17)
InChIKeyITAGZYQDKYZFCX-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.28
Rot. Bonds11

About 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide

3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide (PubChem CID 103179736) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
PubChem CID103179736
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
SMILESCCN(CCOCCCOC)CC(C)C(N)=S
InChIInChI=1S/C12H26N2O2S/c1-4-14(10-11(2)12(13)17)6-9-16-8-5-7-15-3/h11H,4-10H2,1-3H3,(H2,13,17)
InChIKeyITAGZYQDKYZFCX-UHFFFAOYSA-N
XLogP1.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
3-[butyl(ethyl)amino]-2-methylpropanethioamide
CID 43367696
3-[2-(3-methoxypropoxy)ethyl-(2-methylpropyl)amino]propanethioamide
CID 103179742
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
CID 62228669
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 103182794
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
CID 63985285
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide (CID 103179736) is 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide is CCN(CCOCCCOC)CC(C)C(N)=S.
What is the InChIKey of 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide?
The InChIKey is ITAGZYQDKYZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-14(10-11(2)12(13)17)6-9-16-8-5-7-15-3/h11H,4-10H2,1-3H3,(H2,13,17).
What are the key properties of 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide?
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide has a molecular weight of 262.42 g/mol, XLogP of 1.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide is sourced from PubChem (CID 103179736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).