1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea

C12H25N3O2S — CID 115570403

IUPAC1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOCCCNC(=S)NCCCN1CCOCC1
InChIInChI=1S/C12H25N3O2S/c1-16-9-3-5-14-12(18)13-4-2-6-15-7-10-17-11-8-15/h2-11H2,1H3,(H2,13,14,18)
InChIKeyBLDFLKPNFYJAMG-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.21
Rot. Bonds8

About 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 115570403) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID115570403
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOCCCNC(=S)NCCCN1CCOCC1
InChIInChI=1S/C12H25N3O2S/c1-16-9-3-5-14-12(18)13-4-2-6-15-7-10-17-11-8-15/h2-11H2,1H3,(H2,13,14,18)
InChIKeyBLDFLKPNFYJAMG-UHFFFAOYSA-N
XLogP0.21
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 103659104
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
1-(3-methoxypropyl)-3-(oxan-4-ylmethyl)thiourea
CID 115599220
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
2-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994050
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111405835
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
CID 119852507
3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109015495
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9216219
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 115570403) is 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea is COCCCNC(=S)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is BLDFLKPNFYJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-16-9-3-5-14-12(18)13-4-2-6-15-7-10-17-11-8-15/h2-11H2,1H3,(H2,13,14,18).
What are the key properties of 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 275.42 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 115570403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).