(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one

C16H21FN2O3S — CID 98810331

IUPAC(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(S(=O)(=O)c2ccc(F)cc2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C16H21FN2O3S/c1-2-14-16(10-8-15(20)18-16)9-3-11-19(14)23(21,22)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H,18,20)/t14-,16-/m0/s1
InChIKeyIETMQZQVZQFCTJ-HOCLYGCPSA-N
MW340.42 g/mol
LogP2.04
Rot. Bonds3

About (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 98810331) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID98810331
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(S(=O)(=O)c2ccc(F)cc2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C16H21FN2O3S/c1-2-14-16(10-8-15(20)18-16)9-3-11-19(14)23(21,22)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H,18,20)/t14-,16-/m0/s1
InChIKeyIETMQZQVZQFCTJ-HOCLYGCPSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
CID 124820969
(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide
CID 97392435
8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
CID 97415459
(5S,10S)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
CID 97386039
(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392428
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]butane-1,3-dione
CID 90796084
1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 53361019
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687
N-butyl-N'-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280365

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one (CID 98810331) is (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(S(=O)(=O)c2ccc(F)cc2)CCC[C@]12CCC(=O)N2.
What is the InChIKey of (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is IETMQZQVZQFCTJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-2-14-16(10-8-15(20)18-16)9-3-11-19(14)23(21,22)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-11H2,1H3,(H,18,20)/t14-,16-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 98810331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).