N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine

C12H22N4OS — CID 120752356

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
SMILESCCSC1CCC(N(C)Cc2noc(CN)n2)C1
InChIInChI=1S/C12H22N4OS/c1-3-18-10-5-4-9(6-10)16(2)8-11-14-12(7-13)17-15-11/h9-10H,3-8,13H2,1-2H3
InChIKeyVRAWTFYYAQCVMG-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.63
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine (PubChem CID 120752356) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
PubChem CID120752356
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
SMILESCCSC1CCC(N(C)Cc2noc(CN)n2)C1
InChIInChI=1S/C12H22N4OS/c1-3-18-10-5-4-9(6-10)16(2)8-11-14-12(7-13)17-15-11/h9-10H,3-8,13H2,1-2H3
InChIKeyVRAWTFYYAQCVMG-UHFFFAOYSA-N
XLogP1.63
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine with MolForge

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
CID 120752901
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine;hydrochloride
CID 120750920
1-(3-ethylsulfanylcyclopentyl)-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75379207
1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97223816
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1-cyclopropylethyl)cyclopropanamine;hydrochloride
CID 120751117
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920743
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97059182
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 63643917

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine (CID 120752356) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine is CCSC1CCC(N(C)Cc2noc(CN)n2)C1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine?
The InChIKey is VRAWTFYYAQCVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-3-18-10-5-4-9(6-10)16(2)8-11-14-12(7-13)17-15-11/h9-10H,3-8,13H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 120752356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).