1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine

C10H17N3OS — CID 64633892

IUPAC1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCCNC(CSc1nnc(C)o1)C1CC1
InChIInChI=1S/C10H17N3OS/c1-3-11-9(8-4-5-8)6-15-10-13-12-7(2)14-10/h8-9,11H,3-6H2,1-2H3
InChIKeyZAXFKPKMNNOIEE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.86
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine

1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 64633892) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
PubChem CID64633892
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCCNC(CSc1nnc(C)o1)C1CC1
InChIInChI=1S/C10H17N3OS/c1-3-11-9(8-4-5-8)6-15-10-13-12-7(2)14-10/h8-9,11H,3-6H2,1-2H3
InChIKeyZAXFKPKMNNOIEE-UHFFFAOYSA-N
XLogP1.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644
(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 104889207
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169
2-(2,2-dimethoxyethylsulfanyl)-5-methyl-1,3,4-oxadiazole
CID 66221730
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 104756010
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 64634336
2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
CID 64614042
2-methyl-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 62254193

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (CID 64633892) is 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is CCNC(CSc1nnc(C)o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is ZAXFKPKMNNOIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-11-9(8-4-5-8)6-15-10-13-12-7(2)14-10/h8-9,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 64633892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).