(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate

C9H19N5OS — CID 83082960

IUPAC(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate
SMILES[H]/N=C(/N=C(N)N)SCC1CN(CC)CCO1
InChIInChI=1S/C9H19N5OS/c1-2-14-3-4-15-7(5-14)6-16-9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyXGYPWRBXOSIJFE-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.35
Rot. Bonds3

About (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate

(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate (PubChem CID 83082960) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate
PubChem CID83082960
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC Name(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate
SMILES[H]/N=C(/N=C(N)N)SCC1CN(CC)CCO1
InChIInChI=1S/C9H19N5OS/c1-2-14-3-4-15-7(5-14)6-16-9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyXGYPWRBXOSIJFE-UHFFFAOYSA-N
XLogP-0.35
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Morpholinopropyl carbamimidothioate hydrochloride
CID 21163760
3-Morpholinopropyl carbamimidothioate
CID 21163761
[2-(4-Morpholinyl)-4,5-dihydro-1,3-thiazol-5-yl]methyl imidothiocarbamate
CID 2836368
4-Morpholin-4-ylbutyl carbamimidothioate
CID 24844025
3-Morpholin-4-ylpropyl carbamimidothioate;dihydrobromide
CID 24844027
[(5R)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
CID 40500753
[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
CID 40500754
(4-Propan-2-ylmorpholin-2-yl)methyl carbamimidothioate
CID 65212225
[4-(2-Methylpropyl)morpholin-2-yl]methyl carbamimidothioate
CID 65212321
[4-(2-methylpropyl)morpholin-2-yl]methyl N'-aminocarbamimidothioate
CID 77059986
(4-propan-2-ylmorpholin-2-yl)methyl N'-aminocarbamimidothioate
CID 77061143
(4-Ethylmorpholin-2-yl)methyl carbamimidothioate
CID 79182073

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate?
The IUPAC name of (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate (CID 83082960) is (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate.
What is the SMILES notation for (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate?
The canonical SMILES for (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate is [H]/N=C(/N=C(N)N)SCC1CN(CC)CCO1.
What is the InChIKey of (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate?
The InChIKey is XGYPWRBXOSIJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-2-14-3-4-15-7(5-14)6-16-9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate?
(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate has a molecular weight of 245.35 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate is sourced from PubChem (CID 83082960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).