1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

C22H37N3OS — CID 17066047

IUPAC1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1CCCCC1N(Cc1ccco1)C(=S)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H37N3OS/c1-16-9-6-7-11-19(16)25(15-18-10-8-12-26-18)20(27)23-17-13-21(2,3)24-22(4,5)14-17/h8,10,12,16-17,19,24H,6-7,9,11,13-15H2,1-5H3,(H,23,27)
InChIKeyLOZPJYLBDUDTSQ-UHFFFAOYSA-N
MW391.63 g/mol
LogP4.84
Rot. Bonds4

About 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (PubChem CID 17066047) has the molecular formula C22H37N3OS and a molecular weight of 391.63 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
PubChem CID17066047
Molecular FormulaC22H37N3OS
Molecular Weight391.63 g/mol
Exact Mass391.27
IUPAC Name1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1CCCCC1N(Cc1ccco1)C(=S)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H37N3OS/c1-16-9-6-7-11-19(16)25(15-18-10-8-12-26-18)20(27)23-17-13-21(2,3)24-22(4,5)14-17/h8,10,12,16-17,19,24H,6-7,9,11,13-15H2,1-5H3,(H,23,27)
InChIKeyLOZPJYLBDUDTSQ-UHFFFAOYSA-N
XLogP4.84
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 54.84
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-benzyl-1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065741
1-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065938
N-(furan-2-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108517632
3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 17383933
2-[ethyl(furan-2-ylmethyl)amino]cyclohexan-1-ol
CID 61423026
3-cycloheptyl-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17383941
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 95738978
3-cyclooctyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(furan-2-ylmethyl)thiourea
CID 17065435
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63074561
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-1-(furan-2-ylmethyl)thiourea
CID 9093720

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (CID 17066047) is 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is CC1CCCCC1N(Cc1ccco1)C(=S)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The InChIKey is LOZPJYLBDUDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3OS/c1-16-9-6-7-11-19(16)25(15-18-10-8-12-26-18)20(27)23-17-13-21(2,3)24-22(4,5)14-17/h8,10,12,16-17,19,24H,6-7,9,11,13-15H2,1-5H3,(H,23,27).
What are the key properties of 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea has a molecular weight of 391.63 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 17066047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).