(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C19H23N3O3S — CID 97374729

IUPAC(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccc(N2C[C@]3(COCCN(Cc4ccncc4)C3)OCC2=O)s1
InChIInChI=1S/C19H23N3O3S/c1-15-2-3-18(26-15)22-13-19(25-11-17(22)23)12-21(8-9-24-14-19)10-16-4-6-20-7-5-16/h2-7H,8-14H2,1H3/t19-/m1/s1
InChIKeyFEVUDBBPPKDKLE-LJQANCHMSA-N
MW373.48 g/mol
LogP2.09
Rot. Bonds3

About (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 97374729) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID97374729
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccc(N2C[C@]3(COCCN(Cc4ccncc4)C3)OCC2=O)s1
InChIInChI=1S/C19H23N3O3S/c1-15-2-3-18(26-15)22-13-19(25-11-17(22)23)12-21(8-9-24-14-19)10-16-4-6-20-7-5-16/h2-7H,8-14H2,1H3/t19-/m1/s1
InChIKeyFEVUDBBPPKDKLE-LJQANCHMSA-N
XLogP2.09
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 97374729) is (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is Cc1ccc(N2C[C@]3(COCCN(Cc4ccncc4)C3)OCC2=O)s1.
What is the InChIKey of (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is FEVUDBBPPKDKLE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-2-3-18(26-15)22-13-19(25-11-17(22)23)12-21(8-9-24-14-19)10-16-4-6-20-7-5-16/h2-7H,8-14H2,1H3/t19-/m1/s1.
What are the key properties of (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 373.48 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 97374729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).