N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine

C15H28FNOS — CID 107446632

IUPACN-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28FNOS/c1-14(2,3)17-11-13(16)12-4-7-18-15(10-12)5-8-19-9-6-15/h12-13,17H,4-11H2,1-3H3
InChIKeyQUGKYKKUUNFJDU-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.40
Rot. Bonds3

About N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine

N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 107446632) has the molecular formula C15H28FNOS and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine
PubChem CID107446632
Molecular FormulaC15H28FNOS
Molecular Weight289.46 g/mol
Exact Mass289.19
IUPAC NameN-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28FNOS/c1-14(2,3)17-11-13(16)12-4-7-18-15(10-12)5-8-19-9-6-15/h12-13,17H,4-11H2,1-3H3
InChIKeyQUGKYKKUUNFJDU-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898037
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79908395
3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914175
N-ethyl-3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914823
N-ethyl-4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954723
4,4,4-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954930
N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516938
N-[2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]propan-1-amine
CID 103516941
N-ethyl-2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 103516942
N-(4,4,4-trifluorobutan-2-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904027
4-Fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepane
CID 103983941

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine (CID 107446632) is N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is QUGKYKKUUNFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNOS/c1-14(2,3)17-11-13(16)12-4-7-18-15(10-12)5-8-19-9-6-15/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine?
N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).