N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine

C10H18N4S — CID 114688768

IUPACN-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCS1
InChIInChI=1S/C10H18N4S/c1-3-11-10(9-5-4-6-15-9)8-7-12-13-14(8)2/h7,9-11H,3-6H2,1-2H3
InChIKeyWUKXICWHYJNRRC-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.36
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine

N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine (PubChem CID 114688768) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
PubChem CID114688768
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCS1
InChIInChI=1S/C10H18N4S/c1-3-11-10(9-5-4-6-15-9)8-7-12-13-14(8)2/h7,9-11H,3-6H2,1-2H3
InChIKeyWUKXICWHYJNRRC-UHFFFAOYSA-N
XLogP1.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine
CID 114688765
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[(4-bromo-1-methylpyrazol-5-yl)-(thian-2-yl)methyl]ethanamine
CID 114658946
N-[(2-methylpyrazol-3-yl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627643
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114658889
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine (CID 114688768) is N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1CCCS1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine?
The InChIKey is WUKXICWHYJNRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-11-10(9-5-4-6-15-9)8-7-12-13-14(8)2/h7,9-11H,3-6H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine?
N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine has a molecular weight of 226.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 114688768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).