[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate

C10H22N4OS — CID 77059986

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate
SMILESCC(C)CN1CCOC(CSC(N)=NN)C1
InChIInChI=1S/C10H22N4OS/c1-8(2)5-14-3-4-15-9(6-14)7-16-10(11)13-12/h8-9H,3-7,12H2,1-2H3,(H2,11,13)
InChIKeyVOEOMTULLIXQAB-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds4

About [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate

[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate (PubChem CID 77059986) has the molecular formula C10H22N4OS and a molecular weight of 246.38 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate
PubChem CID77059986
Molecular FormulaC10H22N4OS
Molecular Weight246.38 g/mol
Exact Mass246.15
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate
SMILESCC(C)CN1CCOC(CSC(N)=NN)C1
InChIInChI=1S/C10H22N4OS/c1-8(2)5-14-3-4-15-9(6-14)7-16-10(11)13-12/h8-9H,3-7,12H2,1-2H3,(H2,11,13)
InChIKeyVOEOMTULLIXQAB-UHFFFAOYSA-N
XLogP0.26
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate (CID 77059986) is [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate is CC(C)CN1CCOC(CSC(N)=NN)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate?
The InChIKey is VOEOMTULLIXQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4OS/c1-8(2)5-14-3-4-15-9(6-14)7-16-10(11)13-12/h8-9H,3-7,12H2,1-2H3,(H2,11,13).
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate?
[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate has a molecular weight of 246.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate is sourced from PubChem (CID 77059986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).