(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane

C14H24N4OS — CID 164640796

IUPAC(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane
SMILESCC(C)Cc1nsc(N2CCN(C)[C@]3(CCOC3)C2)n1
InChIInChI=1S/C14H24N4OS/c1-11(2)8-12-15-13(20-16-12)18-6-5-17(3)14(9-18)4-7-19-10-14/h11H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyKTWJTVQWAKDKQR-CQSZACIVSA-N
MW296.44 g/mol
LogP1.65
Rot. Bonds3

About (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane

(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane (PubChem CID 164640796) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane
PubChem CID164640796
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane
SMILESCC(C)Cc1nsc(N2CCN(C)[C@]3(CCOC3)C2)n1
InChIInChI=1S/C14H24N4OS/c1-11(2)8-12-15-13(20-16-12)18-6-5-17(3)14(9-18)4-7-19-10-14/h11H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyKTWJTVQWAKDKQR-CQSZACIVSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane (CID 164640796) is (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane is CC(C)Cc1nsc(N2CCN(C)[C@]3(CCOC3)C2)n1.
What is the InChIKey of (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
The InChIKey is KTWJTVQWAKDKQR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(2)8-12-15-13(20-16-12)18-6-5-17(3)14(9-18)4-7-19-10-14/h11H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane has a molecular weight of 296.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 164640796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).