N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C16H29N3S — CID 103967797

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCN1CCCCC1CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H29N3S/c1-19-10-6-3-7-14(19)11-17-15-18-12-16(13-20-15)8-4-2-5-9-16/h14H,2-13H2,1H3,(H,17,18)
InChIKeyKKNMFRASSGNYBP-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.11
Rot. Bonds2

About N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967797) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967797
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCN1CCCCC1CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H29N3S/c1-19-10-6-3-7-14(19)11-17-15-18-12-16(13-20-15)8-4-2-5-9-16/h14H,2-13H2,1H3,(H,17,18)
InChIKeyKKNMFRASSGNYBP-UHFFFAOYSA-N
XLogP3.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 64393153
N-(4,4-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034894
N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79870111
N-(2,2-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79871978
N-(3,3-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81568762
N-(3,3-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81569287
N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967531
N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967537
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-propan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967541
N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967544
N-pentan-3-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967547

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967797) is N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CN1CCCCC1CNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is KKNMFRASSGNYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-19-10-6-3-7-14(19)11-17-15-18-12-16(13-20-15)8-4-2-5-9-16/h14H,2-13H2,1H3,(H,17,18).
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 295.50 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).