N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H26N2OS — CID 103967799

IUPACN-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-17-10-6-5-9-15-13-16-11-14(12-18-13)7-3-2-4-8-14/h2-12H2,1H3,(H,15,16)
InChIKeyDVZADTATUWWIKH-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.06
Rot. Bonds5

About N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967799) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967799
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-17-10-6-5-9-15-13-16-11-14(12-18-13)7-3-2-4-8-14/h2-12H2,1H3,(H,15,16)
InChIKeyDVZADTATUWWIKH-UHFFFAOYSA-N
XLogP3.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967544
N-(2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967546
N-pentan-3-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967547
N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967550
N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967564
N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967571
N-butyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967578
N-pentyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967582
N',N'-dimethyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)propane-1,3-diamine
CID 103967630

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967799) is N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCCCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is DVZADTATUWWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-17-10-6-5-9-15-13-16-11-14(12-18-13)7-3-2-4-8-14/h2-12H2,1H3,(H,15,16).
What are the key properties of N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 270.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).