1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea

C10H21N3OS — CID 2731720

IUPAC1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCN(C)C(=S)NCCCN1CCOCC1
InChIInChI=1S/C10H21N3OS/c1-12(2)10(15)11-4-3-5-13-6-8-14-9-7-13/h3-9H2,1-2H3,(H,11,15)
InChIKeyJJWIGWXNUQCRFH-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.14
Rot. Bonds4

About 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea

1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 2731720) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID2731720
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCN(C)C(=S)NCCCN1CCOCC1
InChIInChI=1S/C10H21N3OS/c1-12(2)10(15)11-4-3-5-13-6-8-14-9-7-13/h3-9H2,1-2H3,(H,11,15)
InChIKeyJJWIGWXNUQCRFH-UHFFFAOYSA-N
XLogP0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea (CID 2731720) is 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea is CN(C)C(=S)NCCCN1CCOCC1.
What is the InChIKey of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is JJWIGWXNUQCRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-12(2)10(15)11-4-3-5-13-6-8-14-9-7-13/h3-9H2,1-2H3,(H,11,15).
What are the key properties of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea?
1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 231.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 2731720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).