(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one

C16H21FN2O3S — CID 97484696

IUPAC(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C16H21FN2O3S/c1-18-15(20)7-9-16(18)8-2-11-19(12-10-16)23(21,22)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3/t16-/m0/s1
InChIKeyOIOXTWXLJUMTFI-INIZCTEOSA-N
MW340.42 g/mol
LogP1.99
Rot. Bonds2

About (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one

(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97484696) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97484696
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C16H21FN2O3S/c1-18-15(20)7-9-16(18)8-2-11-19(12-10-16)23(21,22)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3/t16-/m0/s1
InChIKeyOIOXTWXLJUMTFI-INIZCTEOSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920529
(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495408
8-(3-fluoro-4-methylphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131640475
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045
9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450540
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 125155260
4-[(1-ethyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)sulfonyl]benzonitrile
CID 97412488
9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 131644737

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one (CID 97484696) is (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one is CN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is OIOXTWXLJUMTFI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-18-15(20)7-9-16(18)8-2-11-19(12-10-16)23(21,22)14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 340.42 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97484696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).