N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide

C10H21N3O3S — CID 115573844

IUPACN-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
SMILESCOCCNC(=O)CNC(=S)NC(C)COC
InChIInChI=1S/C10H21N3O3S/c1-8(7-16-3)13-10(17)12-6-9(14)11-4-5-15-2/h8H,4-7H2,1-3H3,(H,11,14)(H2,12,13,17)
InChIKeyWCSBIGCYIFEWST-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.75
Rot. Bonds8

About N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide

N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide (PubChem CID 115573844) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
PubChem CID115573844
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
SMILESCOCCNC(=O)CNC(=S)NC(C)COC
InChIInChI=1S/C10H21N3O3S/c1-8(7-16-3)13-10(17)12-6-9(14)11-4-5-15-2/h8H,4-7H2,1-3H3,(H,11,14)(H2,12,13,17)
InChIKeyWCSBIGCYIFEWST-UHFFFAOYSA-N
XLogP-0.75
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
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-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide
CID 116508069
methyl 3-(1-methoxypropan-2-ylcarbamothioylamino)propanoate
CID 115577228
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
1-(2-methoxyethyl)-3-(4-methylsulfinylbutan-2-yl)thiourea
CID 116510261
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115642333
1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
CID 115583442
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide (CID 115573844) is N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide is COCCNC(=O)CNC(=S)NC(C)COC.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide?
The InChIKey is WCSBIGCYIFEWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8(7-16-3)13-10(17)12-6-9(14)11-4-5-15-2/h8H,4-7H2,1-3H3,(H,11,14)(H2,12,13,17).
What are the key properties of N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide?
N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide has a molecular weight of 263.36 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide is sourced from PubChem (CID 115573844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).