(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C16H25NOS — CID 97371261

IUPAC(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)[C@@H]1COC2(CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C16H25NOS/c1-13(2)14-10-16(18-12-14)5-7-17(8-6-16)11-15-4-3-9-19-15/h3-4,9,13-14H,5-8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyQPMSFUGQSTYCKY-AWEZNQCLSA-N
MW279.45 g/mol
LogP3.78
Rot. Bonds3

About (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371261) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371261
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)[C@@H]1COC2(CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C16H25NOS/c1-13(2)14-10-16(18-12-14)5-7-17(8-6-16)11-15-4-3-9-19-15/h3-4,9,13-14H,5-8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyQPMSFUGQSTYCKY-AWEZNQCLSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97372125
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371264
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
(3S)-N-methyl-N-(pyridin-3-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371337
N,N-dimethyl-2-[[8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663033
(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371263
3-propan-2-yl-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134070216
(3S)-8-[(3-fluoro-4-pyridinyl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394777
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
1,1-dimethyl-3-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 133141286
(3R,5S)-N-pyrimidin-2-yl-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778004
1-methyl-4-propan-2-yl-9-(thiophen-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495694

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97371261) is (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is CC(C)[C@@H]1COC2(CCN(Cc3cccs3)CC2)C1.
What is the InChIKey of (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QPMSFUGQSTYCKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13(2)14-10-16(18-12-14)5-7-17(8-6-16)11-15-4-3-9-19-15/h3-4,9,13-14H,5-8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 279.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).