1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea

C11H23N3OS2 — CID 103659104

IUPAC1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
SMILESCOCCCNC(=S)NCCN1CCSCC1
InChIInChI=1S/C11H23N3OS2/c1-15-8-2-3-12-11(16)13-4-5-14-6-9-17-10-7-14/h2-10H2,1H3,(H2,12,13,16)
InChIKeyKPUHFUXHSWGYNR-UHFFFAOYSA-N
MW277.46 g/mol
LogP0.54
Rot. Bonds7

About 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea

1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea (PubChem CID 103659104) has the molecular formula C11H23N3OS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
PubChem CID103659104
Molecular FormulaC11H23N3OS2
Molecular Weight277.46 g/mol
Exact Mass277.13
IUPAC Name1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
SMILESCOCCCNC(=S)NCCN1CCSCC1
InChIInChI=1S/C11H23N3OS2/c1-15-8-2-3-12-11(16)13-4-5-14-6-9-17-10-7-14/h2-10H2,1H3,(H2,12,13,16)
InChIKeyKPUHFUXHSWGYNR-UHFFFAOYSA-N
XLogP0.54
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 50.54
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

1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403
ethane;4-(4-methoxybutyl)thiomorpholine
CID 143134021
1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 106325042
N-(3-methoxypropyl)-3-methylthiomorpholine-4-carbothioamide
CID 115641143
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
3-methoxy-2-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 106326224
1-(3-methoxypropyl)-3-[(1-methylpiperidin-3-yl)methyl]thiourea
CID 115618335
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583639
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 110976413

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea (CID 103659104) is 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea is COCCCNC(=S)NCCN1CCSCC1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea?
The InChIKey is KPUHFUXHSWGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS2/c1-15-8-2-3-12-11(16)13-4-5-14-6-9-17-10-7-14/h2-10H2,1H3,(H2,12,13,16).
What are the key properties of 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea?
1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea has a molecular weight of 277.46 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea is sourced from PubChem (CID 103659104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).