1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea

C19H30N4O4S2 — CID 23963884

IUPAC1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccc(NC(=S)NCCN2CCOCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H30N4O4S2/c1-26-16-5-6-17(18(15-16)29(24,25)23-8-3-2-4-9-23)21-19(28)20-7-10-22-11-13-27-14-12-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,28)
InChIKeyBLBUCUQTGGXQEO-UHFFFAOYSA-N
MW442.61 g/mol
LogP1.49
Rot. Bonds7

About 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea

1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 23963884) has the molecular formula C19H30N4O4S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID23963884
Molecular FormulaC19H30N4O4S2
Molecular Weight442.61 g/mol
Exact Mass442.17
IUPAC Name1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccc(NC(=S)NCCN2CCOCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H30N4O4S2/c1-26-16-5-6-17(18(15-16)29(24,25)23-8-3-2-4-9-23)21-19(28)20-7-10-22-11-13-27-14-12-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,28)
InChIKeyBLBUCUQTGGXQEO-UHFFFAOYSA-N
XLogP1.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
CID 2457185
1-(4-fluorophenyl)-3-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)thiourea
CID 23884042
1-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100616341
1-(3-morpholin-4-ylpropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624491
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
1-(4-iodo-2-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23964682
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 2400156
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8748306
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 23963884) is 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea is COc1ccc(NC(=S)NCCN2CCOCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is BLBUCUQTGGXQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S2/c1-26-16-5-6-17(18(15-16)29(24,25)23-8-3-2-4-9-23)21-19(28)20-7-10-22-11-13-27-14-12-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,28).
What are the key properties of 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 442.61 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 23963884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).