2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid

C11H18N2O3S — CID 18738832

IUPAC2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid
SMILESCN1CCC2(CC1)SC(CC(=O)O)C(=O)N2C
InChIInChI=1S/C11H18N2O3S/c1-12-5-3-11(4-6-12)13(2)10(16)8(17-11)7-9(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeySBNBQEUYGBIDKN-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.46
Rot. Bonds2

About 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid

2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid (PubChem CID 18738832) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid
PubChem CID18738832
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid
SMILESCN1CCC2(CC1)SC(CC(=O)O)C(=O)N2C
InChIInChI=1S/C11H18N2O3S/c1-12-5-3-11(4-6-12)13(2)10(16)8(17-11)7-9(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeySBNBQEUYGBIDKN-UHFFFAOYSA-N
XLogP0.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-Thia-4-azaspiro[4.5]decane-2-acetic acid, 4-dodecyl-3-oxo-
CID 15955381
2-[4-Dodecyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]acetic acid
CID 164615254
1-Thia-4-azaspiro[4.5]decane-2-acetic acid, 4-octyl-3-oxo-
CID 15955380
2-[8-(2,2-Dimethylpropanoyloxy)-1-dodecyl-2-oxo-4-thia-1,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 15955386
1-Thia-4,8-diazaspiro[4.5]decane-2-acetic acid, 4-dodecyl-3-oxo-
CID 15955387
2-(4,8-Dimethyl-1-methylidene-3-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid
CID 18738831
2-(2,2,3-Trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 59555264
2-(2-Ethoxy-2-oxoethyl)-4-(3-methylbutyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 88183265
2-(2-Ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 130399906
4-(2,2-Dimethyl-1,3-thiazolidin-3-yl)-4-oxobutanoic acid
CID 141586764
Ethyl 4-[4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate
CID 3636839
4-(3-Methylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 64039141

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid?
The IUPAC name of 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid (CID 18738832) is 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid.
What is the SMILES notation for 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid?
The canonical SMILES for 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid is CN1CCC2(CC1)SC(CC(=O)O)C(=O)N2C.
What is the InChIKey of 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid?
The InChIKey is SBNBQEUYGBIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-12-5-3-11(4-6-12)13(2)10(16)8(17-11)7-9(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid?
2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid has a molecular weight of 258.34 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl)acetic acid is sourced from PubChem (CID 18738832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).