3-morpholin-2-ylpropylthiourea

C8H17N3OS — CID 87985093

IUPAC3-morpholin-2-ylpropylthiourea
SMILESNC(=S)NCCCC1CNCCO1
InChIInChI=1S/C8H17N3OS/c9-8(13)11-3-1-2-7-6-10-4-5-12-7/h7,10H,1-6H2,(H3,9,11,13)
InChIKeyQNJGZDGMPIXECK-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.41
Rot. Bonds4

About 3-morpholin-2-ylpropylthiourea

3-morpholin-2-ylpropylthiourea (PubChem CID 87985093) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-morpholin-2-ylpropylthiourea.

Molecular Properties

Compound Name3-morpholin-2-ylpropylthiourea
PubChem CID87985093
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name3-morpholin-2-ylpropylthiourea
SMILESNC(=S)NCCCC1CNCCO1
InChIInChI=1S/C8H17N3OS/c9-8(13)11-3-1-2-7-6-10-4-5-12-7/h7,10H,1-6H2,(H3,9,11,13)
InChIKeyQNJGZDGMPIXECK-UHFFFAOYSA-N
XLogP-0.41
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
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 3-morpholin-2-ylpropylthiourea?
The IUPAC name of 3-morpholin-2-ylpropylthiourea (CID 87985093) is 3-morpholin-2-ylpropylthiourea.
What is the SMILES notation for 3-morpholin-2-ylpropylthiourea?
The canonical SMILES for 3-morpholin-2-ylpropylthiourea is NC(=S)NCCCC1CNCCO1.
What is the InChIKey of 3-morpholin-2-ylpropylthiourea?
The InChIKey is QNJGZDGMPIXECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c9-8(13)11-3-1-2-7-6-10-4-5-12-7/h7,10H,1-6H2,(H3,9,11,13).
What are the key properties of 3-morpholin-2-ylpropylthiourea?
3-morpholin-2-ylpropylthiourea has a molecular weight of 203.31 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-2-ylpropylthiourea is sourced from PubChem (CID 87985093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).