N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide

C8H17N3OS — CID 115571220

IUPACN-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
SMILESCNC(=O)CNC(=S)NCC(C)C
InChIInChI=1S/C8H17N3OS/c1-6(2)4-10-8(13)11-5-7(12)9-3/h6H,4-5H2,1-3H3,(H,9,12)(H2,10,11,13)
InChIKeyXEDAZIHHQFLXCO-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.15
Rot. Bonds4

About N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide

N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide (PubChem CID 115571220) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
PubChem CID115571220
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
SMILESCNC(=O)CNC(=S)NCC(C)C
InChIInChI=1S/C8H17N3OS/c1-6(2)4-10-8(13)11-5-7(12)9-3/h6H,4-5H2,1-3H3,(H,9,12)(H2,10,11,13)
InChIKeyXEDAZIHHQFLXCO-UHFFFAOYSA-N
XLogP-0.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
CID 115598342
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773
1-(2-methylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thiourea
CID 115576760
2-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide?
The IUPAC name of N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide (CID 115571220) is N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide?
The canonical SMILES for N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide is CNC(=O)CNC(=S)NCC(C)C.
What is the InChIKey of N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide?
The InChIKey is XEDAZIHHQFLXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(2)4-10-8(13)11-5-7(12)9-3/h6H,4-5H2,1-3H3,(H,9,12)(H2,10,11,13).
What are the key properties of N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide?
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide has a molecular weight of 203.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide is sourced from PubChem (CID 115571220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).