N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C16H22FNOS — CID 79898021

IUPACN-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFc1ccc(CNC2CCOC3(CCSCC3)C2)cc1
InChIInChI=1S/C16H22FNOS/c17-14-3-1-13(2-4-14)12-18-15-5-8-19-16(11-15)6-9-20-10-7-16/h1-4,15,18H,5-12H2
InChIKeyNARCLVSGVPHEEI-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.36
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79898021) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79898021
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFc1ccc(CNC2CCOC3(CCSCC3)C2)cc1
InChIInChI=1S/C16H22FNOS/c17-14-3-1-13(2-4-14)12-18-15-5-8-19-16(11-15)6-9-20-10-7-16/h1-4,15,18H,5-12H2
InChIKeyNARCLVSGVPHEEI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(4-bromothiophen-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903525
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
(5R,9R)-N-[(3-methoxy-4-methylphenyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124627329
N-[(2-methylpyrimidin-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895637
4-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]benzonitrile
CID 79902616
N-[(4-fluorophenyl)methyl]oxetan-3-amine
CID 56604676
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
2-fluoro-6-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]phenol
CID 136521458

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79898021) is N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is Fc1ccc(CNC2CCOC3(CCSCC3)C2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is NARCLVSGVPHEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-14-3-1-13(2-4-14)12-18-15-5-8-19-16(11-15)6-9-20-10-7-16/h1-4,15,18H,5-12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 295.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).