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

C18H22N2OS — CID 97371135

IUPAC(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc([C@@H]2COC3(CCN(Cc4ccsc4)CC3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-2-16(11-19-6-1)17-10-18(21-13-17)4-7-20(8-5-18)12-15-3-9-22-14-15/h1-3,6,9,11,14,17H,4-5,7-8,10,12-13H2/t17-/m0/s1
InChIKeyPAPVCEXCIDQGMB-KRWDZBQOSA-N
MW314.45 g/mol
LogP3.68
Rot. Bonds3

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

(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371135) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371135
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc([C@@H]2COC3(CCN(Cc4ccsc4)CC3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-2-16(11-19-6-1)17-10-18(21-13-17)4-7-20(8-5-18)12-15-3-9-22-14-15/h1-3,6,9,11,14,17H,4-5,7-8,10,12-13H2/t17-/m0/s1
InChIKeyPAPVCEXCIDQGMB-KRWDZBQOSA-N
XLogP3.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746332
(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394818
4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131677503
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472963
4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669889
N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
(3S)-3-(cyclobutylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419175
N-(furan-2-ylmethyl)-N-methyl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131655737
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371364

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97371135) is (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cncc([C@@H]2COC3(CCN(Cc4ccsc4)CC3)C2)c1.
What is the InChIKey of (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PAPVCEXCIDQGMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-16(11-19-6-1)17-10-18(21-13-17)4-7-20(8-5-18)12-15-3-9-22-14-15/h1-3,6,9,11,14,17H,4-5,7-8,10,12-13H2/t17-/m0/s1.
What are the key properties of (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 314.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).