(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H24FN3O3S — CID 97191765

IUPAC(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(S(=O)(=O)c1cccc(F)c1)CCN2C
InChIInChI=1S/C17H24FN3O3S/c1-19-9-8-17(7-6-16(19)22)13-21(11-10-20(17)2)25(23,24)15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3/t17-/m0/s1
InChIKeySNMIGDIMABDQPP-KRWDZBQOSA-N
MW369.46 g/mol
LogP1.14
Rot. Bonds2

About (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97191765) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97191765
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(S(=O)(=O)c1cccc(F)c1)CCN2C
InChIInChI=1S/C17H24FN3O3S/c1-19-9-8-17(7-6-16(19)22)13-21(11-10-20(17)2)25(23,24)15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3/t17-/m0/s1
InChIKeySNMIGDIMABDQPP-KRWDZBQOSA-N
XLogP1.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

4-[[(6S)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
CID 97125888
2-[[(6S)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
CID 97151276
5-(3-fluorophenyl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201446
(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789035
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16896776
8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131639072
(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104009
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
2-(3,4-difluorophenyl)sulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155843920
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91913082
(6S)-1-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150778
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97191765) is (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CC[C@@]2(CCC1=O)CN(S(=O)(=O)c1cccc(F)c1)CCN2C.
What is the InChIKey of (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is SNMIGDIMABDQPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-19-9-8-17(7-6-16(19)22)13-21(11-10-20(17)2)25(23,24)15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 369.46 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).