3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide

C9H19N3O2S — CID 116508069

IUPAC3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide
SMILESCNC(=O)CCNC(=S)NC(C)COC
InChIInChI=1S/C9H19N3O2S/c1-7(6-14-3)12-9(15)11-5-4-8(13)10-2/h7H,4-6H2,1-3H3,(H,10,13)(H2,11,12,15)
InChIKeyWYAJIGRNCPXDQH-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.38
Rot. Bonds6

About 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide

3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide (PubChem CID 116508069) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide
PubChem CID116508069
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide
SMILESCNC(=O)CCNC(=S)NC(C)COC
InChIInChI=1S/C9H19N3O2S/c1-7(6-14-3)12-9(15)11-5-4-8(13)10-2/h7H,4-6H2,1-3H3,(H,10,13)(H2,11,12,15)
InChIKeyWYAJIGRNCPXDQH-UHFFFAOYSA-N
XLogP-0.38
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(1-methoxypropan-2-ylcarbamothioylamino)propanoate
CID 115577228
N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
CID 115573844
1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583638
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
1-(1-methoxypropan-2-yl)-3-(7-methyloctyl)thiourea
CID 103601039
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
N-methyl-3-(propylcarbamothioylamino)propanamide
CID 116508065
1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115642333
3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928
1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea
CID 7941515
methyl 3-(propan-2-ylcarbamothioylamino)propanoate
CID 115577210
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide?
The IUPAC name of 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide (CID 116508069) is 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide?
The canonical SMILES for 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide is CNC(=O)CCNC(=S)NC(C)COC.
What is the InChIKey of 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide?
The InChIKey is WYAJIGRNCPXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-7(6-14-3)12-9(15)11-5-4-8(13)10-2/h7H,4-6H2,1-3H3,(H,10,13)(H2,11,12,15).
What are the key properties of 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide?
3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide has a molecular weight of 233.34 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide is sourced from PubChem (CID 116508069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).