1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea

C14H28N6O2S2 — CID 2974218

IUPAC1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
SMILESS=C(NCCN1CCOCC1)NNC(=S)NCCN1CCOCC1
InChIInChI=1S/C14H28N6O2S2/c23-13(15-1-3-19-5-9-21-10-6-19)17-18-14(24)16-2-4-20-7-11-22-12-8-20/h1-12H2,(H2,15,17,23)(H2,16,18,24)
InChIKeyRBYOUMVXUFYCNV-UHFFFAOYSA-N
MW376.55 g/mol
LogP-1.51
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea

1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea (PubChem CID 2974218) has the molecular formula C14H28N6O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
PubChem CID2974218
Molecular FormulaC14H28N6O2S2
Molecular Weight376.55 g/mol
Exact Mass376.17
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
SMILESS=C(NCCN1CCOCC1)NNC(=S)NCCN1CCOCC1
InChIInChI=1S/C14H28N6O2S2/c23-13(15-1-3-19-5-9-21-10-6-19)17-18-14(24)16-2-4-20-7-11-22-12-8-20/h1-12H2,(H2,15,17,23)(H2,16,18,24)
InChIKeyRBYOUMVXUFYCNV-UHFFFAOYSA-N
XLogP-1.51
TPSA73.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8789670
1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
CID 43384725
N-(2-morpholin-4-ylethyl)carbamodithioate
CID 91929836
1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8618749
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
(E)-N-(2-morpholin-4-ylethyl)but-2-en-2-amine
CID 143222411
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777586
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2109385
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea (CID 2974218) is 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea is S=C(NCCN1CCOCC1)NNC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
The InChIKey is RBYOUMVXUFYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O2S2/c23-13(15-1-3-19-5-9-21-10-6-19)17-18-14(24)16-2-4-20-7-11-22-12-8-20/h1-12H2,(H2,15,17,23)(H2,16,18,24).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea has a molecular weight of 376.55 g/mol, XLogP of -1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea is sourced from PubChem (CID 2974218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).