N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine

C10H18N2S — CID 136502356

IUPACN-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine
SMILESC/N=C1\NCCC2(CCCCC2)S1
InChIInChI=1S/C10H18N2S/c1-11-9-12-8-7-10(13-9)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyRKLUBABYJUJVIG-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.40
Rot. Bonds

About N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine

N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine (PubChem CID 136502356) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine.

Molecular Properties

Compound NameN-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine
PubChem CID136502356
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine
SMILESC/N=C1\NCCC2(CCCCC2)S1
InChIInChI=1S/C10H18N2S/c1-11-9-12-8-7-10(13-9)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyRKLUBABYJUJVIG-UHFFFAOYSA-N
XLogP2.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
Ethyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 90671457
N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376071
rac-N-[(1R,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376072
N-[(1S,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376073
N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376075
N-(5-methylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3611366
N-[(5R)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7062704
N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7062705
N-(4-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068315
N-(3-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43370589
N-(cyclohexylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43371631

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine?
The IUPAC name of N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine (CID 136502356) is N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine.
What is the SMILES notation for N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine?
The canonical SMILES for N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine is C/N=C1\NCCC2(CCCCC2)S1.
What is the InChIKey of N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine?
The InChIKey is RKLUBABYJUJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-11-9-12-8-7-10(13-9)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12).
What are the key properties of N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine?
N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine has a molecular weight of 198.33 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thia-3-azaspiro[5.5]undecan-2-imine is sourced from PubChem (CID 136502356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).