N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H17BrFNOS — CID 107599402

IUPACN-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFc1cccc(Br)c1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H17BrFNOS/c15-11-2-1-3-12(16)13(11)17-10-4-6-18-14(8-10)5-7-19-9-14/h1-3,10,17H,4-9H2
InChIKeyJWMPGWDFAMYNQS-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.05
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 107599402) has the molecular formula C14H17BrFNOS and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID107599402
Molecular FormulaC14H17BrFNOS
Molecular Weight346.27 g/mol
Exact Mass345.02
IUPAC NameN-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFc1cccc(Br)c1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H17BrFNOS/c15-11-2-1-3-12(16)13(11)17-10-4-6-18-14(8-10)5-7-19-9-14/h1-3,10,17H,4-9H2
InChIKeyJWMPGWDFAMYNQS-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
CID 107598228
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
2-fluoro-6-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]phenol
CID 136521458
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933
N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81379881
5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133451315
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(4-bromo-2,6-dimethylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79902156

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 107599402) is N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is Fc1cccc(Br)c1NC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is JWMPGWDFAMYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNOS/c15-11-2-1-3-12(16)13(11)17-10-4-6-18-14(8-10)5-7-19-9-14/h1-3,10,17H,4-9H2.
What are the key properties of N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 346.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107599402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).