1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

C19H29FN2O3S — CID 164642375

IUPAC1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CCc1ccccc1F
InChIInChI=1S/C19H29FN2O3S/c1-21(2)13-17-14-25-19(10-5-6-11-19)15-22(17)26(23,24)12-9-16-7-3-4-8-18(16)20/h3-4,7-8,17H,5-6,9-15H2,1-2H3/t17-/m0/s1
InChIKeyFICFBDQVPNIZIB-KRWDZBQOSA-N
MW384.52 g/mol
LogP2.27
Rot. Bonds6

About 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (PubChem CID 164642375) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
PubChem CID164642375
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CCc1ccccc1F
InChIInChI=1S/C19H29FN2O3S/c1-21(2)13-17-14-25-19(10-5-6-11-19)15-22(17)26(23,24)12-9-16-7-3-4-8-18(16)20/h3-4,7-8,17H,5-6,9-15H2,1-2H3/t17-/m0/s1
InChIKeyFICFBDQVPNIZIB-KRWDZBQOSA-N
XLogP2.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118740866
8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744794
N-[[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
CID 53576288
1-(4-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanesulfonamide
CID 32675793
4-(Ethylsulfonyl)-2-(3-fluorobenzyl)morpholine
CID 45173217
1-(3,5-Difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-(oxan-4-YL)methanesulfonamide
CID 132338355
2-(3-Fluoro-4-methylbenzenesulfonyl)-7-(piperidin-1-YL)-5-oxa-2-azaspiro[3.4]octane
CID 132445916
2-[(4-Fluorophenyl)methylsulfonyl]-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 132445992
9-[2-(2-Fluorophenyl)ethylsulfonyl]-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 138032255
9-[2-(2,6-Difluorophenyl)ethylsulfonyl]-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 138037475
(7S)-2-[(4-methylphenyl)methylsulfonyl]-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 164631874
1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]methanesulfonamide
CID 164641336

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (CID 164642375) is 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CCc1ccccc1F.
What is the InChIKey of 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The InChIKey is FICFBDQVPNIZIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-21(2)13-17-14-25-19(10-5-6-11-19)15-22(17)26(23,24)12-9-16-7-3-4-8-18(16)20/h3-4,7-8,17H,5-6,9-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine has a molecular weight of 384.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-9-[2-(2-fluorophenyl)ethylsulfonyl]-6-oxa-9-azaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 164642375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).