[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone

C12H18N4O3S2 — CID 97482260

IUPAC[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
SMILESCS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1csnn1)C2
InChIInChI=1S/C12H18N4O3S2/c1-21(18,19)16-7-3-5-12(16)4-2-6-15(9-12)11(17)10-8-20-14-13-10/h8H,2-7,9H2,1H3/t12-/m0/s1
InChIKeySYJNTUCAIXFOIT-LBPRGKRZSA-N
MW330.44 g/mol
LogP0.57
Rot. Bonds2

About [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone

[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone (PubChem CID 97482260) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
PubChem CID97482260
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
SMILESCS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1csnn1)C2
InChIInChI=1S/C12H18N4O3S2/c1-21(18,19)16-7-3-5-12(16)4-2-6-15(9-12)11(17)10-8-20-14-13-10/h8H,2-7,9H2,1H3/t12-/m0/s1
InChIKeySYJNTUCAIXFOIT-LBPRGKRZSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074824
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
[(3aR,6aR)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(thiadiazol-4-yl)methanone
CID 131685811
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002

Frequently Asked Questions

What is the IUPAC name of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone (CID 97482260) is [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone is CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1csnn1)C2.
What is the InChIKey of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is SYJNTUCAIXFOIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-21(18,19)16-7-3-5-12(16)4-2-6-15(9-12)11(17)10-8-20-14-13-10/h8H,2-7,9H2,1H3/t12-/m0/s1.
What are the key properties of [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone?
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 330.44 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 97482260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).