2-morpholin-4-ylethyl N'-aminocarbamimidothioate

C7H16N4OS — CID 77060850

IUPAC2-morpholin-4-ylethyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCN1CCOCC1
InChIInChI=1S/C7H16N4OS/c8-7(10-9)13-6-3-11-1-4-12-5-2-11/h1-6,9H2,(H2,8,10)
InChIKeyPKABRWGOFPQMLN-UHFFFAOYSA-N
MW204.30 g/mol
LogP-0.76
Rot. Bonds3

About 2-morpholin-4-ylethyl N'-aminocarbamimidothioate

2-morpholin-4-ylethyl N'-aminocarbamimidothioate (PubChem CID 77060850) has the molecular formula C7H16N4OS and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N'-aminocarbamimidothioate
PubChem CID77060850
Molecular FormulaC7H16N4OS
Molecular Weight204.30 g/mol
Exact Mass204.10
IUPAC Name2-morpholin-4-ylethyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCN1CCOCC1
InChIInChI=1S/C7H16N4OS/c8-7(10-9)13-6-3-11-1-4-12-5-2-11/h1-6,9H2,(H2,8,10)
InChIKeyPKABRWGOFPQMLN-UHFFFAOYSA-N
XLogP-0.76
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 5-0.76
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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Related Compounds

3-pyrrolidin-1-ylpropyl N'-aminocarbamimidothioate
CID 77060950
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246
3-morpholin-4-ylpropyl carbamimidothioate
CID 21163761
3-morpholin-4-ylpropyl carbamimidothioate;dihydrochloride
CID 155487098
1-amino-2-(2-morpholin-4-ylethyl)guanidine
CID 15114686
3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate
CID 5473868
2-morpholin-4-ylethyl piperazine-1-carbodithioate
CID 125486501
4-[2-[(3E)-3-bromopenta-1,3-dien-2-yl]sulfanylethyl]morpholine
CID 145010526
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
CID 54610602
2-morpholin-4-ylethyl thiocyanate
CID 59595122

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N'-aminocarbamimidothioate?
The IUPAC name of 2-morpholin-4-ylethyl N'-aminocarbamimidothioate (CID 77060850) is 2-morpholin-4-ylethyl N'-aminocarbamimidothioate.
What is the SMILES notation for 2-morpholin-4-ylethyl N'-aminocarbamimidothioate?
The canonical SMILES for 2-morpholin-4-ylethyl N'-aminocarbamimidothioate is NN=C(N)SCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl N'-aminocarbamimidothioate?
The InChIKey is PKABRWGOFPQMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4OS/c8-7(10-9)13-6-3-11-1-4-12-5-2-11/h1-6,9H2,(H2,8,10).
What are the key properties of 2-morpholin-4-ylethyl N'-aminocarbamimidothioate?
2-morpholin-4-ylethyl N'-aminocarbamimidothioate has a molecular weight of 204.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N'-aminocarbamimidothioate is sourced from PubChem (CID 77060850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).