N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

C16H24ClN3S — CID 111733201

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCCc1ccc(Cl)s1)N1CCC2(CCCC2)C1
InChIInChI=1S/C16H24ClN3S/c1-18-15(19-10-6-13-4-5-14(17)21-13)20-11-9-16(12-20)7-2-3-8-16/h4-5H,2-3,6-12H2,1H3,(H,18,19)
InChIKeyQBMHHHDDJUCASW-UHFFFAOYSA-N
MW325.91 g/mol
LogP3.79
Rot. Bonds3

About N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733201) has the molecular formula C16H24ClN3S and a molecular weight of 325.91 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733201
Molecular FormulaC16H24ClN3S
Molecular Weight325.91 g/mol
Exact Mass325.14
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCCc1ccc(Cl)s1)N1CCC2(CCCC2)C1
InChIInChI=1S/C16H24ClN3S/c1-18-15(19-10-6-13-4-5-14(17)21-13)20-11-9-16(12-20)7-2-3-8-16/h4-5H,2-3,6-12H2,1H3,(H,18,19)
InChIKeyQBMHHHDDJUCASW-UHFFFAOYSA-N
XLogP3.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487566
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733248
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
ethyl 4-[N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162821
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733821
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-(3-anilinopropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733061
N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446785
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 109406181
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744947
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166410

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733201) is N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCCc1ccc(Cl)s1)N1CCC2(CCCC2)C1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is QBMHHHDDJUCASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3S/c1-18-15(19-10-6-13-4-5-14(17)21-13)20-11-9-16(12-20)7-2-3-8-16/h4-5H,2-3,6-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 325.91 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).