1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

C18H26N2O2S — CID 124617715

IUPAC1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESCSc1cccc(C)c1NC(=O)N[C@H]1CCOC2(CCCC2)C1
InChIInChI=1S/C18H26N2O2S/c1-13-6-5-7-15(23-2)16(13)20-17(21)19-14-8-11-22-18(12-14)9-3-4-10-18/h5-7,14H,3-4,8-12H2,1-2H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyOYWJXJAXGJYMAH-AWEZNQCLSA-N
MW334.49 g/mol
LogP4.33
Rot. Bonds3

About 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (PubChem CID 124617715) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
PubChem CID124617715
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESCSc1cccc(C)c1NC(=O)N[C@H]1CCOC2(CCCC2)C1
InChIInChI=1S/C18H26N2O2S/c1-13-6-5-7-15(23-2)16(13)20-17(21)19-14-8-11-22-18(12-14)9-3-4-10-18/h5-7,14H,3-4,8-12H2,1-2H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyOYWJXJAXGJYMAH-AWEZNQCLSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
1-(2-chloro-4,5-difluorophenyl)-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97076162
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97077585
1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235602
1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124888728
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The IUPAC name of 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (CID 124617715) is 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.
What is the SMILES notation for 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The canonical SMILES for 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is CSc1cccc(C)c1NC(=O)N[C@H]1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The InChIKey is OYWJXJAXGJYMAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13-6-5-7-15(23-2)16(13)20-17(21)19-14-8-11-22-18(12-14)9-3-4-10-18/h5-7,14H,3-4,8-12H2,1-2H3,(H2,19,20,21)/t14-/m0/s1.
What are the key properties of 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea has a molecular weight of 334.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is sourced from PubChem (CID 124617715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).