1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

C17H34N4OS — CID 8668510

IUPAC1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1(C)CC(NC(=S)NCCCN2CCOCC2)CC(C)(C)N1
InChIInChI=1S/C17H34N4OS/c1-16(2)12-14(13-17(3,4)20-16)19-15(23)18-6-5-7-21-8-10-22-11-9-21/h14,20H,5-13H2,1-4H3,(H2,18,19,23)
InChIKeyCDMSKLZJNGRCTR-UHFFFAOYSA-N
MW342.55 g/mol
LogP1.48
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (PubChem CID 8668510) has the molecular formula C17H34N4OS and a molecular weight of 342.55 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
PubChem CID8668510
Molecular FormulaC17H34N4OS
Molecular Weight342.55 g/mol
Exact Mass342.25
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1(C)CC(NC(=S)NCCCN2CCOCC2)CC(C)(C)N1
InChIInChI=1S/C17H34N4OS/c1-16(2)12-14(13-17(3,4)20-16)19-15(23)18-6-5-7-21-8-10-22-11-9-21/h14,20H,5-13H2,1-4H3,(H2,18,19,23)
InChIKeyCDMSKLZJNGRCTR-UHFFFAOYSA-N
XLogP1.48
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 51.48
H-Bond Donors ≤ 53
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
1-[(4-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065822
1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 9097915
1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17066016
1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
CID 80592759
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645
1-[[(5R,7R)-3-chloro-1-adamantyl]methyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 98430993
1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411492
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
CID 156564164

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (CID 8668510) is 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is CC1(C)CC(NC(=S)NCCCN2CCOCC2)CC(C)(C)N1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The InChIKey is CDMSKLZJNGRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4OS/c1-16(2)12-14(13-17(3,4)20-16)19-15(23)18-6-5-7-21-8-10-22-11-9-21/h14,20H,5-13H2,1-4H3,(H2,18,19,23).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea has a molecular weight of 342.55 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 8668510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).