N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide

C12H22N2S — CID 115605189

IUPACN-methyl-3-azaspiro[5.5]undecane-3-carbothioamide
SMILESCNC(=S)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H22N2S/c1-13-11(15)14-9-7-12(8-10-14)5-3-2-4-6-12/h2-10H2,1H3,(H,13,15)
InChIKeyCZBSMGCUTZLZCX-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.54
Rot. Bonds

About N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide

N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide (PubChem CID 115605189) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide.

Molecular Properties

Compound NameN-methyl-3-azaspiro[5.5]undecane-3-carbothioamide
PubChem CID115605189
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-methyl-3-azaspiro[5.5]undecane-3-carbothioamide
SMILESCNC(=S)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H22N2S/c1-13-11(15)14-9-7-12(8-10-14)5-3-2-4-6-12/h2-10H2,1H3,(H,13,15)
InChIKeyCZBSMGCUTZLZCX-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide
CID 115605184
4,4-difluoro-N-methylpiperidine-1-carbothioamide
CID 126990030
1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
CID 2731758
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
N,N-dimethyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605545
3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
2-(3-azaspiro[5.5]undecane-3-carbonyl)butanenitrile
CID 62930586
N,3,3-trimethylazetidine-1-carbothioamide
CID 126999189
4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
CID 115583416
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide?
The IUPAC name of N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide (CID 115605189) is N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide.
What is the SMILES notation for N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide?
The canonical SMILES for N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide is CNC(=S)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide?
The InChIKey is CZBSMGCUTZLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-13-11(15)14-9-7-12(8-10-14)5-3-2-4-6-12/h2-10H2,1H3,(H,13,15).
What are the key properties of N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide?
N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide has a molecular weight of 226.39 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide is sourced from PubChem (CID 115605189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).