3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide

C11H24N2OS — CID 107895715

IUPAC3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide
SMILESCCCC(C)N(CCOC)CCC(N)=S
InChIInChI=1S/C11H24N2OS/c1-4-5-10(2)13(8-9-14-3)7-6-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyNMMISPRZSWDGBU-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.80
Rot. Bonds9

About 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide

3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide (PubChem CID 107895715) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide
PubChem CID107895715
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide
SMILESCCCC(C)N(CCOC)CCC(N)=S
InChIInChI=1S/C11H24N2OS/c1-4-5-10(2)13(8-9-14-3)7-6-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyNMMISPRZSWDGBU-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methylpentyl(propan-2-yl)amino]propanethioamide
CID 62265710
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100
3-[butan-2-yl(ethyl)amino]propanethioamide
CID 43274551
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
CID 65249083
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 54998249
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
3-[3-methoxypropylsulfonyl(propan-2-yl)amino]propanethioamide
CID 55171154

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide (CID 107895715) is 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide is CCCC(C)N(CCOC)CCC(N)=S.
What is the InChIKey of 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide?
The InChIKey is NMMISPRZSWDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-5-10(2)13(8-9-14-3)7-6-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide?
3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide is sourced from PubChem (CID 107895715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).