2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

C15H22N4O3S — CID 131686661

IUPAC2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCC(C)C(=O)NC1COC2(CCN(C(=O)c3csnn3)CC2)C1
InChIInChI=1S/C15H22N4O3S/c1-10(2)13(20)16-11-7-15(22-8-11)3-5-19(6-4-15)14(21)12-9-23-18-17-12/h9-11H,3-8H2,1-2H3,(H,16,20)
InChIKeyQEZAASZFVGKTOG-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.07
Rot. Bonds3

About 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (PubChem CID 131686661) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
PubChem CID131686661
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCC(C)C(=O)NC1COC2(CCN(C(=O)c3csnn3)CC2)C1
InChIInChI=1S/C15H22N4O3S/c1-10(2)13(20)16-11-7-15(22-8-11)3-5-19(6-4-15)14(21)12-9-23-18-17-12/h9-11H,3-8H2,1-2H3,(H,16,20)
InChIKeyQEZAASZFVGKTOG-UHFFFAOYSA-N
XLogP1.07
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
CID 131687649
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 97490595
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687042
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide
CID 166434440
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (CID 131686661) is 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is CC(C)C(=O)NC1COC2(CCN(C(=O)c3csnn3)CC2)C1.
What is the InChIKey of 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is QEZAASZFVGKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-10(2)13(20)16-11-7-15(22-8-11)3-5-19(6-4-15)14(21)12-9-23-18-17-12/h9-11H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 338.43 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 131686661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).