1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea

C17H23FN2O2S — CID 122150033

IUPAC1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea
SMILESCS(=O)C1(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCC1
InChIInChI=1S/C17H23FN2O2S/c1-23(22)17(8-3-9-17)11-19-16(21)20-15-5-2-4-12-6-7-13(18)10-14(12)15/h6-7,10,15H,2-5,8-9,11H2,1H3,(H2,19,20,21)/t15-,23?/m1/s1
InChIKeyQMKDJEKUHFSKTL-NKTHEXPSSA-N
MW338.45 g/mol
LogP2.80
Rot. Bonds4

About 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea

1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea (PubChem CID 122150033) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea
PubChem CID122150033
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea
SMILESCS(=O)C1(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCC1
InChIInChI=1S/C17H23FN2O2S/c1-23(22)17(8-3-9-17)11-19-16(21)20-15-5-2-4-12-6-7-13(18)10-14(12)15/h6-7,10,15H,2-5,8-9,11H2,1H3,(H2,19,20,21)/t15-,23?/m1/s1
InChIKeyQMKDJEKUHFSKTL-NKTHEXPSSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea with MolForge

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Related Compounds

3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438730
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 111974189
3-(dimethylsulfamoyl)-N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 97062388
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
CID 82080013

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea?
The IUPAC name of 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea (CID 122150033) is 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea is CS(=O)C1(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCC1.
What is the InChIKey of 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea?
The InChIKey is QMKDJEKUHFSKTL-NKTHEXPSSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-23(22)17(8-3-9-17)11-19-16(21)20-15-5-2-4-12-6-7-13(18)10-14(12)15/h6-7,10,15H,2-5,8-9,11H2,1H3,(H2,19,20,21)/t15-,23?/m1/s1.
What are the key properties of 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea?
1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea has a molecular weight of 338.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea is sourced from PubChem (CID 122150033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).