(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C18H28N2OS — CID 97372753

IUPAC(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)cs1
InChIInChI=1S/C18H28N2OS/c1-5-18(13-19(6-1)11-17-4-9-22-12-17)14-20(7-8-21-15-18)10-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2/t18-/m1/s1
InChIKeyQMVFBUGYJAMRGZ-GOSISDBHSA-N
MW320.50 g/mol
LogP3.07
Rot. Bonds4

About (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97372753) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97372753
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)cs1
InChIInChI=1S/C18H28N2OS/c1-5-18(13-19(6-1)11-17-4-9-22-12-17)14-20(7-8-21-15-18)10-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2/t18-/m1/s1
InChIKeyQMVFBUGYJAMRGZ-GOSISDBHSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
(5S)-2-(oxan-4-yl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472060
2-(2-methoxyethyl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131647411
1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
CID 97397894
(2R,5R)-2-(pyrazol-1-ylmethyl)-7-(thiophen-3-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97452047
1-(cyclopropylmethyl)-9-(thiophen-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155835236
9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131644646
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
2-[(1-methylimidazol-2-yl)methyl]-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155859952
(3aS,7aS)-5-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97377225

Frequently Asked Questions

What is the IUPAC name of (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97372753) is (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)cs1.
What is the InChIKey of (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is QMVFBUGYJAMRGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-5-18(13-19(6-1)11-17-4-9-22-12-17)14-20(7-8-21-15-18)10-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2/t18-/m1/s1.
What are the key properties of (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 320.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97372753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).