2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine

C14H26FNOS — CID 107443554

IUPAC2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26FNOS/c1-10(2)12(8-16)13(15)11-3-5-17-14(7-11)4-6-18-9-14/h10-13H,3-9,16H2,1-2H3
InChIKeySWJOVPYNBHVRBT-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.86
Rot. Bonds4

About 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine

2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443554) has the molecular formula C14H26FNOS and a molecular weight of 275.43 g/mol. Its IUPAC name is 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443554
Molecular FormulaC14H26FNOS
Molecular Weight275.43 g/mol
Exact Mass275.17
IUPAC Name2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26FNOS/c1-10(2)12(8-16)13(15)11-3-5-17-14(7-11)4-6-18-9-14/h10-13H,3-9,16H2,1-2H3
InChIKeySWJOVPYNBHVRBT-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine (CID 107443554) is 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is SWJOVPYNBHVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNOS/c1-10(2)12(8-16)13(15)11-3-5-17-14(7-11)4-6-18-9-14/h10-13H,3-9,16H2,1-2H3.
What are the key properties of 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 275.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).