5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one

C10H17NOS — CID 91280510

IUPAC5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
SMILESCN1C(=O)CCSC12CCCCC2
InChIInChI=1S/C10H17NOS/c1-11-9(12)5-8-13-10(11)6-3-2-4-7-10/h2-8H2,1H3
InChIKeyBTDUNCBIPHDKQV-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.24
Rot. Bonds

About 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one

5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one (PubChem CID 91280510) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
PubChem CID91280510
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
SMILESCN1C(=O)CCSC12CCCCC2
InChIInChI=1S/C10H17NOS/c1-11-9(12)5-8-13-10(11)6-3-2-4-7-10/h2-8H2,1H3
InChIKeyBTDUNCBIPHDKQV-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one
CID 15326618
4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203177
1-methyl-3-propan-2-yl-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 65243320
1-methyl-1-azaspiro[4.4]nonane-2,4-dione
CID 14507935
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate
CID 102451370
7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione
CID 71600515
1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one
CID 126718947
9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
CID 82397620
spiro[13.14]octacosan-28-one
CID 12738452
4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[4.5]decane
CID 154756314
1,2-dimethyl-5-oxopyrrolidine-2-carbonitrile
CID 54857189

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one?
The IUPAC name of 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one (CID 91280510) is 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one?
The canonical SMILES for 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one is CN1C(=O)CCSC12CCCCC2.
What is the InChIKey of 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one?
The InChIKey is BTDUNCBIPHDKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-11-9(12)5-8-13-10(11)6-3-2-4-7-10/h2-8H2,1H3.
What are the key properties of 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one?
5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one has a molecular weight of 199.32 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 91280510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).