N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine

C12H21N3OS — CID 65133564

IUPACN-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
SMILESCC(C)(C)SCc1noc(CNCC2CC2)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)17-8-10-14-11(16-15-10)7-13-6-9-4-5-9/h9,13H,4-8H2,1-3H3
InChIKeyQDBPEQAZJYRVSD-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.60
Rot. Bonds6

About N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine

N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine (PubChem CID 65133564) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
PubChem CID65133564
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
SMILESCC(C)(C)SCc1noc(CNCC2CC2)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)17-8-10-14-11(16-15-10)7-13-6-9-4-5-9/h9,13H,4-8H2,1-3H3
InChIKeyQDBPEQAZJYRVSD-UHFFFAOYSA-N
XLogP2.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65137668
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532558
N-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 65133677
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477
1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 61496275
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030405

Frequently Asked Questions

What is the IUPAC name of N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine (CID 65133564) is N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine is CC(C)(C)SCc1noc(CNCC2CC2)n1.
What is the InChIKey of N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
The InChIKey is QDBPEQAZJYRVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)17-8-10-14-11(16-15-10)7-13-6-9-4-5-9/h9,13H,4-8H2,1-3H3.
What are the key properties of N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine has a molecular weight of 255.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 65133564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).