1,3-bis(morpholin-4-ylmethyl)thiourea

C11H22N4O2S — CID 3454724

IUPAC1,3-bis(morpholin-4-ylmethyl)thiourea
SMILESS=C(NCN1CCOCC1)NCN1CCOCC1
InChIInChI=1S/C11H22N4O2S/c18-11(12-9-14-1-5-16-6-2-14)13-10-15-3-7-17-8-4-15/h1-10H2,(H2,12,13,18)
InChIKeySBAHRQGYVJJJRI-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.97
Rot. Bonds4

About 1,3-bis(morpholin-4-ylmethyl)thiourea

1,3-bis(morpholin-4-ylmethyl)thiourea (PubChem CID 3454724) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1,3-bis(morpholin-4-ylmethyl)thiourea.

Molecular Properties

Compound Name1,3-bis(morpholin-4-ylmethyl)thiourea
PubChem CID3454724
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name1,3-bis(morpholin-4-ylmethyl)thiourea
SMILESS=C(NCN1CCOCC1)NCN1CCOCC1
InChIInChI=1S/C11H22N4O2S/c18-11(12-9-14-1-5-16-6-2-14)13-10-15-3-7-17-8-4-15/h1-10H2,(H2,12,13,18)
InChIKeySBAHRQGYVJJJRI-UHFFFAOYSA-N
XLogP-0.97
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Morpholine-4-carbothioic acid (3-morpholin-4-yl-propyl)-amide
CID 2725457
1,3-Bis(3-morpholin-4-ylpropyl)thiourea
CID 4056941
Dimorpholin-4-ylmethanethione
CID 3009846
N-(2-methoxyethyl)-4-morpholinecarbothioamide
CID 2168459
Thiourea, (4-morpholinylmethyl)-
CID 3571469
N-(morpholine-4-carbothioyl)morpholine-4-carbothioamide
CID 20321644
5-(3-Morpholin-4-ylpropyl)-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
CID 1510318
Tetrahydro-5-(2-(4-morpholinyl)ethyl)-1,3,5-triazine-2(1H)-thione
CID 1510319
2(1H)-Pyrimidinethione, tetrahydro-1-(4-morpholinylmethyl)-
CID 5369296
1,3-Bis(2-morpholin-4-ylethyl)thiourea
CID 4376353
3-Morpholin-4-ylmorpholine
CID 17949079
5-[2-[2-(4-Sulfanylidene-1,3,5-triazinan-1-yl)ethoxy]ethyl]-1,3,5-triazinane-2-thione
CID 20632647

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(morpholin-4-ylmethyl)thiourea?
The IUPAC name of 1,3-bis(morpholin-4-ylmethyl)thiourea (CID 3454724) is 1,3-bis(morpholin-4-ylmethyl)thiourea.
What is the SMILES notation for 1,3-bis(morpholin-4-ylmethyl)thiourea?
The canonical SMILES for 1,3-bis(morpholin-4-ylmethyl)thiourea is S=C(NCN1CCOCC1)NCN1CCOCC1.
What is the InChIKey of 1,3-bis(morpholin-4-ylmethyl)thiourea?
The InChIKey is SBAHRQGYVJJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c18-11(12-9-14-1-5-16-6-2-14)13-10-15-3-7-17-8-4-15/h1-10H2,(H2,12,13,18).
What are the key properties of 1,3-bis(morpholin-4-ylmethyl)thiourea?
1,3-bis(morpholin-4-ylmethyl)thiourea has a molecular weight of 274.39 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(morpholin-4-ylmethyl)thiourea is sourced from PubChem (CID 3454724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).