1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea

C12H19N3O2S — CID 108889167

IUPAC1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
SMILESO=C(NCCCN1CCOCC1)Nc1cccs1
InChIInChI=1S/C12H19N3O2S/c16-12(14-11-3-1-10-18-11)13-4-2-5-15-6-8-17-9-7-15/h1,3,10H,2,4-9H2,(H2,13,14,16)
InChIKeyPZDKSNUQMVBXPR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea

1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea (PubChem CID 108889167) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
PubChem CID108889167
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
SMILESO=C(NCCCN1CCOCC1)Nc1cccs1
InChIInChI=1S/C12H19N3O2S/c16-12(14-11-3-1-10-18-11)13-4-2-5-15-6-8-17-9-7-15/h1,3,10H,2,4-9H2,(H2,13,14,16)
InChIKeyPZDKSNUQMVBXPR-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114115
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
CID 75379101
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea (CID 108889167) is 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea is O=C(NCCCN1CCOCC1)Nc1cccs1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea?
The InChIKey is PZDKSNUQMVBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-12(14-11-3-1-10-18-11)13-4-2-5-15-6-8-17-9-7-15/h1,3,10H,2,4-9H2,(H2,13,14,16).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea?
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea has a molecular weight of 269.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 108889167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).