(2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one

C15H18BrNOS — CID 1253416

IUPAC(2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESC[C@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H18BrNOS/c1-11-14(18)17(13-7-5-12(16)6-8-13)15(19-11)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyPFXLETOLBSXYAK-LLVKDONJSA-N
MW340.29 g/mol
LogP4.58
Rot. Bonds1

About (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one

(2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 1253416) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID1253416
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name(2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESC[C@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H18BrNOS/c1-11-14(18)17(13-7-5-12(16)6-8-13)15(19-11)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyPFXLETOLBSXYAK-LLVKDONJSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-2,8-dimethyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 17385360
2-[4-(4-nitrophenyl)-3-oxo-1-thia-4-azaspiro[4.5]decan-2-yl]acetic acid
CID 24874578
4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 88790827
4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64962592
9-(4-bromophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64962604
(1S)-1-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-2-azaspiro[3.5]nonan-3-one
CID 7304830
(3S)-3-methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one
CID 786885
(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
CID 1265815
5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 102552108
(1S,2S,6S,7S)-4-(4-bromophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98139288
3-(4-bromophenyl)-2',3'-dimethylspiro[1,3-thiazolidine-2,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-4-one
CID 11429956
1-(4-bromophenyl)-4-methylpyrrolidin-2-one
CID 76800077

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one (CID 1253416) is (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one is C[C@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is PFXLETOLBSXYAK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11-14(18)17(13-7-5-12(16)6-8-13)15(19-11)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
(2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 340.29 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-bromophenyl)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 1253416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).