1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine

C9H18N2O2S — CID 165464227

IUPAC1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine
SMILESCN1CCC(N)C12CCS(=O)(=O)CC2
InChIInChI=1S/C9H18N2O2S/c1-11-5-2-8(10)9(11)3-6-14(12,13)7-4-9/h8H,2-7,10H2,1H3
InChIKeyQEKKFFAEDPLGDE-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.40
Rot. Bonds

About 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine

1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine (PubChem CID 165464227) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine
PubChem CID165464227
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine
SMILESCN1CCC(N)C12CCS(=O)(=O)CC2
InChIInChI=1S/C9H18N2O2S/c1-11-5-2-8(10)9(11)3-6-14(12,13)7-4-9/h8H,2-7,10H2,1H3
InChIKeyQEKKFFAEDPLGDE-UHFFFAOYSA-N
XLogP-0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-azaspiro[2.4]heptan-7-amine;dihydrochloride
CID 105451908
8-cyclopropyl-1-methyl-1,8-diazaspiro[4.5]decan-4-amine
CID 165464224
1,8-dimethyl-1-azaspiro[4.5]decan-4-amine
CID 83828566
1,2,3,3-tetramethylpiperidine-2,4-diamine
CID 175486169
6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride
CID 134828352
1-(4-methyl-4-azaspiro[2.4]heptan-7-yl)cyclopropan-1-amine
CID 105433241
4-methyl-1,1-dioxothian-4-amine
CID 58641892
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885389
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine
CID 66263915
(4-amino-1,3-dimethylpiperidin-3-yl)methanol
CID 18685130
2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 79407140

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine?
The IUPAC name of 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine (CID 165464227) is 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine is CN1CCC(N)C12CCS(=O)(=O)CC2.
What is the InChIKey of 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine?
The InChIKey is QEKKFFAEDPLGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-11-5-2-8(10)9(11)3-6-14(12,13)7-4-9/h8H,2-7,10H2,1H3.
What are the key properties of 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine?
1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine has a molecular weight of 218.32 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 165464227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).