1-methyl-3-(2-morpholin-4-ylethyl)thiourea

C8H17N3OS — CID 800073

IUPAC1-methyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCNC(=S)NCCN1CCOCC1
InChIInChI=1S/C8H17N3OS/c1-9-8(13)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10,13)
InChIKeyQFPGFKATIZNPLQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.59
Rot. Bonds3

About 1-methyl-3-(2-morpholin-4-ylethyl)thiourea

1-methyl-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 800073) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-methyl-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID800073
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name1-methyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCNC(=S)NCCN1CCOCC1
InChIInChI=1S/C8H17N3OS/c1-9-8(13)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10,13)
InChIKeyQFPGFKATIZNPLQ-UHFFFAOYSA-N
XLogP-0.59
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 886104
N-(3-methoxypropyl)-4-methylpiperazine-1-carbothioamide
CID 3192028
Thiourea, N-(3-ethoxy-2-(4-morpholinyl)propyl)-N'-ethyl-
CID 3070406
1-(2-Morpholinoethyl)-2-thiourea
CID 2760134
N-ethyl-2,6-dimethylmorpholine-4-carbothioamide
CID 2927468
S-Anisylformamidino-4-(N-methylisothioamide)morpholine
CID 686504
Pseudourea, 2-(2-morpholinoethyl)-2-thio-, dihydrochloride
CID 3035131
N-[3-(4-Morpholinyl)propyl]thiourea
CID 2760135
Ethyl ((2-(4-morpholinyl)ethyl)amino)carbothioylcarbamate
CID 3579207
N-(2-methoxyethyl)-4-morpholinecarbothioamide
CID 2168459
4-Morpholinecarbothioamide, N-butyl-
CID 3293994
1,1-Dimethyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731720

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-methyl-3-(2-morpholin-4-ylethyl)thiourea (CID 800073) is 1-methyl-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-methyl-3-(2-morpholin-4-ylethyl)thiourea is CNC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is QFPGFKATIZNPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-9-8(13)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10,13).
What are the key properties of 1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
1-methyl-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 203.31 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 800073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).